CID 177207068

C17H22F3N2O3Si — CID 177207068

IUPAC—
SMILESCC1(C)C[C@@H]2Oc3nc(C(F)(F)F)ccc3[Si]2N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H22F3N2O3Si/c1-15(2,3)25-14(23)22-9-16(4,5)8-12-24-13-10(26(12)22)6-7-11(21-13)17(18,19)20/h6-7,12H,8-9H2,1-5H3/t12-/m1/s1
InChIKeyKKWQJDZJRADIFF-GFCCVEGCSA-N
MW387.45 g/mol
LogP3.27
Rot. Bonds

About CID 177207068

CID 177207068 (PubChem CID 177207068) has the molecular formula C17H22F3N2O3Si and a molecular weight of 387.45 g/mol.

Molecular Properties

Compound NameCID 177207068
PubChem CID177207068
Molecular FormulaC17H22F3N2O3Si
Molecular Weight387.45 g/mol
Exact Mass387.14
IUPAC Name—
SMILESCC1(C)C[C@@H]2Oc3nc(C(F)(F)F)ccc3[Si]2N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H22F3N2O3Si/c1-15(2,3)25-14(23)22-9-16(4,5)8-12-24-13-10(26(12)22)6-7-11(21-13)17(18,19)20/h6-7,12H,8-9H2,1-5H3/t12-/m1/s1
InChIKeyKKWQJDZJRADIFF-GFCCVEGCSA-N
XLogP3.27
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (4R)-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-4-fluoro-4-(fluoromethyl)pyrrolidine-1-carboxylate
CID 156837451
tert-butyl (4R)-4-fluoro-4-(fluoromethyl)-2-[[3-isocyano-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate
CID 176786709
tert-butyl 2,2-dimethyl-4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethynyl]-1,3-oxazolidine-3-carboxylate
CID 68714989
tert-butyl 2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 169160995
tert-butyl 6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 162746030
tert-butyl 2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfanyl]-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 169160869
tert-butyl (3R)-6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-5-hydroxy-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 177207205
tert-butyl 8-[6-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 155733544
tert-butyl 3-bromo-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine-1-carboxylate
CID 163361237
tert-butyl (1R,3S,5R)-5-methyl-3-[[3-methyl-6-(trifluoromethyl)pyrazin-2-yl]carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 176786593
tert-butyl 5-bromo-3,3-dimethylazepane-1-carboxylate
CID 131141075
tert-butyl 4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate
CID 170143798

Frequently Asked Questions

What is the IUPAC name of CID 177207068?
The IUPAC name of CID 177207068 (CID 177207068) is not available.
What is the SMILES notation for CID 177207068?
The canonical SMILES for CID 177207068 is CC1(C)C[C@@H]2Oc3nc(C(F)(F)F)ccc3[Si]2N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of CID 177207068?
The InChIKey is KKWQJDZJRADIFF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22F3N2O3Si/c1-15(2,3)25-14(23)22-9-16(4,5)8-12-24-13-10(26(12)22)6-7-11(21-13)17(18,19)20/h6-7,12H,8-9H2,1-5H3/t12-/m1/s1.
What are the key properties of CID 177207068?
CID 177207068 has a molecular weight of 387.45 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177207068 is sourced from PubChem (CID 177207068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).