1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid

C14H23F2NO4 — CID 107478956

IUPAC1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCCC1)N(CCO)CC(F)F
InChIInChI=1S/C14H23F2NO4/c15-11(16)10-17(7-8-18)12(19)9-14(13(20)21)5-3-1-2-4-6-14/h11,18H,1-10H2,(H,20,21)
InChIKeyACEHBKFGFFXHMI-UHFFFAOYSA-N
MW307.34 g/mol
LogP1.89
Rot. Bonds7

About 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 107478956) has the molecular formula C14H23F2NO4 and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID107478956
Molecular FormulaC14H23F2NO4
Molecular Weight307.34 g/mol
Exact Mass307.16
IUPAC Name1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCCC1)N(CCO)CC(F)F
InChIInChI=1S/C14H23F2NO4/c15-11(16)10-17(7-8-18)12(19)9-14(13(20)21)5-3-1-2-4-6-14/h11,18H,1-10H2,(H,20,21)
InChIKeyACEHBKFGFFXHMI-UHFFFAOYSA-N
XLogP1.89
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107481655
1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43588235
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 107479058
1-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114230125
1-carbamothioyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cycloheptane-1-carboxamide
CID 107479760
1-carbamothioyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 107479763
1-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107198577
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 107478961
1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 107479411
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cycloheptane-1-carboxamide
CID 107482212
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 107483272
1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid
CID 79425246

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 107478956) is 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCCCC1)N(CCO)CC(F)F.
What is the InChIKey of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is ACEHBKFGFFXHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO4/c15-11(16)10-17(7-8-18)12(19)9-14(13(20)21)5-3-1-2-4-6-14/h11,18H,1-10H2,(H,20,21).
What are the key properties of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 307.34 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 107478956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).