N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide

C12H17F2NO — CID 126777220

IUPACN-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)C1CC=CC1
InChIInChI=1S/C12H17F2NO/c13-12(14)7-5-10(6-8-12)15-11(16)9-3-1-2-4-9/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyFSTSKKJSFDKOOO-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.65
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide

N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide (PubChem CID 126777220) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide
PubChem CID126777220
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)C1CC=CC1
InChIInChI=1S/C12H17F2NO/c13-12(14)7-5-10(6-8-12)15-11(16)9-3-1-2-4-9/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyFSTSKKJSFDKOOO-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 39969360
N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
CID 126786058
N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide
CID 164642741
7-(2,3,3,3-Tetrafluoropropionamido)bicyclo[2.2.1]heptane
CID 564262
2-Trifluoroacetylaminonorborn-5-ene
CID 19599169
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
N-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2,2,2-trifluoroacetamide
CID 88110299
2-(3-aminopropyl)-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pent-4-enamide
CID 89073749
N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide
CID 89472517
N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide
CID 118374455
2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide
CID 121370346
N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide
CID 130701915

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide (CID 126777220) is N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide is O=C(NC1CCC(F)(F)CC1)C1CC=CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is FSTSKKJSFDKOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c13-12(14)7-5-10(6-8-12)15-11(16)9-3-1-2-4-9/h1-2,9-10H,3-8H2,(H,15,16).
What are the key properties of N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide?
N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 229.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 126777220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).