CID 154707775

C17H25F2NO2 — CID 154707775

IUPAC—
SMILESCC(C)(C)OC(=O)N1C2CCC1CC1(C2)C(F)(F)C12CCC2
InChIInChI=1S/C17H25F2NO2/c1-14(2,3)22-13(21)20-11-5-6-12(20)10-16(9-11)15(7-4-8-15)17(16,18)19/h11-12H,4-10H2,1-3H3
InChIKeyUULGLAJGLOJMTO-UHFFFAOYSA-N
MW313.39 g/mol
LogP4.35
Rot. Bonds

About CID 154707775

CID 154707775 (PubChem CID 154707775) has the molecular formula C17H25F2NO2 and a molecular weight of 313.39 g/mol.

Molecular Properties

Compound NameCID 154707775
PubChem CID154707775
Molecular FormulaC17H25F2NO2
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1C2CCC1CC1(C2)C(F)(F)C12CCC2
InChIInChI=1S/C17H25F2NO2/c1-14(2,3)22-13(21)20-11-5-6-12(20)10-16(9-11)15(7-4-8-15)17(16,18)19/h11-12H,4-10H2,1-3H3
InChIKeyUULGLAJGLOJMTO-UHFFFAOYSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate
CID 134938626
Tert-butyl 1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707769
Tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707770
Tert-butyl 1',1'-difluoro-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707771
Tert-butyl 3'-cyclopropyl-1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707772
Tert-butyl 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707773
CID 154707774
CID 154707774
Trifluoromethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614191
2,2-Difluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614205
1,1-Difluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70657721
Tert-butyl 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70815074
Tert-butyl 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 118008385

Frequently Asked Questions

What is the IUPAC name of CID 154707775?
The IUPAC name of CID 154707775 (CID 154707775) is not available.
What is the SMILES notation for CID 154707775?
The canonical SMILES for CID 154707775 is CC(C)(C)OC(=O)N1C2CCC1CC1(C2)C(F)(F)C12CCC2.
What is the InChIKey of CID 154707775?
The InChIKey is UULGLAJGLOJMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO2/c1-14(2,3)22-13(21)20-11-5-6-12(20)10-16(9-11)15(7-4-8-15)17(16,18)19/h11-12H,4-10H2,1-3H3.
What are the key properties of CID 154707775?
CID 154707775 has a molecular weight of 313.39 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154707775 is sourced from PubChem (CID 154707775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).