tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine

C80H97Cl2F8N15O17S — CID 160554886

IUPACtert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine
SMILESCC(C)(C)OC(=O)N1CC(F)(CF)C1.CC(C)(C)OC(=O)N1CC(F)(CO)C1.CC(C)(C)OC(=O)N1CC(F)(COS(C)(=O)=O)C1.Cn1cc(-c2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(F)(CF)C2)cn1.Cn1cc(-c2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)O)cn1.FCC1(F)CNC1
InChIInChI=1S/C26H23ClF2N6O3.C22H18ClN5O4.C10H18FNO5S.C9H15F2NO2.C9H16FNO3.C4H7F2N/c1-33-11-19(10-32-33)18-6-17-7-21(24(37)31-8-16-2-4-20(27)5-3-16)25(38)35(23(17)30-9-18)12-22(36)34-14-26(29,13-28)15-34;1-27-11-16(10-26-27)15-6-14-7-18(21(31)25-8-13-2-4-17(23)5-3-13)22(32)28(12-19(29)30)20(14)24-9-15;1-9(2,3)17-8(13)12-5-10(11,6-12)7-16-18(4,14)15;1-8(2,3)14-7(13)12-5-9(11,4-10)6-12;1-8(2,3)14-7(13)11-4-9(10,5-11)6-12;5-1-4(6)2-7-3-4/h2-7,9-11H,8,12-15H2,1H3,(H,31,37);2-7,9-11H,8,12H2,1H3,(H,25,31)(H,29,30);5-7H2,1-4H3;4-6H2,1-3H3;12H,4-6H2,1-3H3;7H,1-3H2
InChIKeyQYNXBCPOWCSILY-UHFFFAOYSA-N
MW1795.70 g/mol
LogP9.41
Rot. Bonds19

About tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine

tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine (PubChem CID 160554886) has the molecular formula C80H97Cl2F8N15O17S and a molecular weight of 1795.70 g/mol. Its IUPAC name is tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine.

Molecular Properties

Compound Nametert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine
PubChem CID160554886
Molecular FormulaC80H97Cl2F8N15O17S
Molecular Weight1795.70 g/mol
Exact Mass1793.62
IUPAC Nametert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine
SMILESCC(C)(C)OC(=O)N1CC(F)(CF)C1.CC(C)(C)OC(=O)N1CC(F)(CO)C1.CC(C)(C)OC(=O)N1CC(F)(COS(C)(=O)=O)C1.Cn1cc(-c2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(F)(CF)C2)cn1.Cn1cc(-c2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)O)cn1.FCC1(F)CNC1
InChIInChI=1S/C26H23ClF2N6O3.C22H18ClN5O4.C10H18FNO5S.C9H15F2NO2.C9H16FNO3.C4H7F2N/c1-33-11-19(10-32-33)18-6-17-7-21(24(37)31-8-16-2-4-20(27)5-3-16)25(38)35(23(17)30-9-18)12-22(36)34-14-26(29,13-28)15-34;1-27-11-16(10-26-27)15-6-14-7-18(21(31)25-8-13-2-4-17(23)5-3-13)22(32)28(12-19(29)30)20(14)24-9-15;1-9(2,3)17-8(13)12-5-10(11,6-12)7-16-18(4,14)15;1-8(2,3)14-7(13)12-5-9(11,4-10)6-12;1-8(2,3)14-7(13)11-4-9(10,5-11)6-12;5-1-4(6)2-7-3-4/h2-7,9-11H,8,12-15H2,1H3,(H,31,37);2-7,9-11H,8,12H2,1H3,(H,25,31)(H,29,30);5-7H2,1-4H3;4-6H2,1-3H3;12H,4-6H2,1-3H3;7H,1-3H2
InChIKeyQYNXBCPOWCSILY-UHFFFAOYSA-N
XLogP9.41
TPSA385.48 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001795.70
LogP ≤ 59.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine?
The IUPAC name of tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine (CID 160554886) is tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine.
What is the SMILES notation for tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine?
The canonical SMILES for tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine is CC(C)(C)OC(=O)N1CC(F)(CF)C1.CC(C)(C)OC(=O)N1CC(F)(CO)C1.CC(C)(C)OC(=O)N1CC(F)(COS(C)(=O)=O)C1.Cn1cc(-c2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(F)(CF)C2)cn1.Cn1cc(-c2cnc3c(c2)cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)O)cn1.FCC1(F)CNC1.
What is the InChIKey of tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine?
The InChIKey is QYNXBCPOWCSILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N6O3.C22H18ClN5O4.C10H18FNO5S.C9H15F2NO2.C9H16FNO3.C4H7F2N/c1-33-11-19(10-32-33)18-6-17-7-21(24(37)31-8-16-2-4-20(27)5-3-16)25(38)35(23(17)30-9-18)12-22(36)34-14-26(29,13-28)15-34;1-27-11-16(10-26-27)15-6-14-7-18(21(31)25-8-13-2-4-17(23)5-3-13)22(32)28(12-19(29)30)20(14)24-9-15;1-9(2,3)17-8(13)12-5-10(11,6-12)7-16-18(4,14)15;1-8(2,3)14-7(13)12-5-9(11,4-10)6-12;1-8(2,3)14-7(13)11-4-9(10,5-11)6-12;5-1-4(6)2-7-3-4/h2-7,9-11H,8,12-15H2,1H3,(H,31,37);2-7,9-11H,8,12H2,1H3,(H,25,31)(H,29,30);5-7H2,1-4H3;4-6H2,1-3H3;12H,4-6H2,1-3H3;7H,1-3H2.
What are the key properties of tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine?
tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine has a molecular weight of 1795.70 g/mol, XLogP of 9.41, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-3-(fluoromethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-fluoro-3-(methylsulfonyloxymethyl)azetidine-1-carboxylate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;3-fluoro-3-(fluoromethyl)azetidine is sourced from PubChem (CID 160554886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).