1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

C14H21F2NO3 — CID 155957110

IUPAC1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCC(F)(F)C1CCN(C(=O)C2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C14H21F2NO3/c1-13(15,16)10-4-8-17(9-5-10)11(18)14(12(19)20)6-2-3-7-14/h10H,2-9H2,1H3,(H,19,20)
InChIKeyUHRHACVESLSSLB-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.53
Rot. Bonds3

About 1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 155957110) has the molecular formula C14H21F2NO3 and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID155957110
Molecular FormulaC14H21F2NO3
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCC(F)(F)C1CCN(C(=O)C2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C14H21F2NO3/c1-13(15,16)10-4-8-17(9-5-10)11(18)14(12(19)20)6-2-3-7-14/h10H,2-9H2,1H3,(H,19,20)
InChIKeyUHRHACVESLSSLB-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 155957110) is 1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is CC(F)(F)C1CCN(C(=O)C2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is UHRHACVESLSSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO3/c1-13(15,16)10-4-8-17(9-5-10)11(18)14(12(19)20)6-2-3-7-14/h10H,2-9H2,1H3,(H,19,20).
What are the key properties of 1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 289.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 155957110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).