N-(2,2-difluoroethyl)cyclopentene-1-carboxamide

C8H11F2NO — CID 131128866

IUPACN-(2,2-difluoroethyl)cyclopentene-1-carboxamide
SMILESO=C(NCC(F)F)C1=CCCC1
InChIInChI=1S/C8H11F2NO/c9-7(10)5-11-8(12)6-3-1-2-4-6/h3,7H,1-2,4-5H2,(H,11,12)
InChIKeyQQNZRTLMXOEESZ-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.48
Rot. Bonds3

About N-(2,2-difluoroethyl)cyclopentene-1-carboxamide

N-(2,2-difluoroethyl)cyclopentene-1-carboxamide (PubChem CID 131128866) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)cyclopentene-1-carboxamide
PubChem CID131128866
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC NameN-(2,2-difluoroethyl)cyclopentene-1-carboxamide
SMILESO=C(NCC(F)F)C1=CCCC1
InChIInChI=1S/C8H11F2NO/c9-7(10)5-11-8(12)6-3-1-2-4-6/h3,7H,1-2,4-5H2,(H,11,12)
InChIKeyQQNZRTLMXOEESZ-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-propylcyclopentene-1-carboxamide
CID 71746980
4-amino-N-pentylcyclopentene-1-carboxamide
CID 71746981
(Z)-2-ethyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)but-2-enamide
CID 59027284
(Z)-2-ethyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorodecyl)but-2-enamide
CID 60016051
N-ethyl-2-fluorocyclopentene-1-carboxamide
CID 67765166
4-(5,5-difluoropentyl)-2,3-dihydro-1H-pyridin-6-one
CID 68344485
2-ethyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)but-2-enamide
CID 72493590
2-ethyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorodecyl)but-2-enamide
CID 72623032
(4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide
CID 89423528
2-ethyl-N-(3,3,4,4,5,5,6,6-octafluorohexyl)but-2-enamide
CID 91047662
N-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorooctyl)-2-ethylbut-2-enamide
CID 91595109
4-methyl-N-(2,2,2-trifluoroethyl)cyclohexa-1,3-diene-1-carboxamide
CID 123824367

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)cyclopentene-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)cyclopentene-1-carboxamide (CID 131128866) is N-(2,2-difluoroethyl)cyclopentene-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)cyclopentene-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)cyclopentene-1-carboxamide is O=C(NCC(F)F)C1=CCCC1.
What is the InChIKey of N-(2,2-difluoroethyl)cyclopentene-1-carboxamide?
The InChIKey is QQNZRTLMXOEESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c9-7(10)5-11-8(12)6-3-1-2-4-6/h3,7H,1-2,4-5H2,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)cyclopentene-1-carboxamide?
N-(2,2-difluoroethyl)cyclopentene-1-carboxamide has a molecular weight of 175.18 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)cyclopentene-1-carboxamide is sourced from PubChem (CID 131128866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).