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

C12H19F2NO4 — CID 107478960

IUPAC1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)N(CCO)CC(F)F
InChIInChI=1S/C12H19F2NO4/c13-9(14)8-15(5-6-16)10(17)7-12(11(18)19)3-1-2-4-12/h9,16H,1-8H2,(H,18,19)
InChIKeyGPQYIOKRJMRTOG-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.11
Rot. Bonds7

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

1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 107478960) has the molecular formula C12H19F2NO4 and a molecular weight of 279.28 g/mol. Its IUPAC name is 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID107478960
Molecular FormulaC12H19F2NO4
Molecular Weight279.28 g/mol
Exact Mass279.13
IUPAC Name1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)N(CCO)CC(F)F
InChIInChI=1S/C12H19F2NO4/c13-9(14)8-15(5-6-16)10(17)7-12(11(18)19)3-1-2-4-12/h9,16H,1-8H2,(H,18,19)
InChIKeyGPQYIOKRJMRTOG-UHFFFAOYSA-N
XLogP1.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 107478960) is 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)N(CCO)CC(F)F.
What is the InChIKey of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is GPQYIOKRJMRTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO4/c13-9(14)8-15(5-6-16)10(17)7-12(11(18)19)3-1-2-4-12/h9,16H,1-8H2,(H,18,19).
What are the key properties of 1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.28 g/mol, XLogP of 1.11, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107478960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).