4,4-difluorocyclohexene-1-carboxamide

C7H9F2NO — CID 89312681

IUPAC4,4-difluorocyclohexene-1-carboxamide
SMILESNC(=O)C1=CCC(F)(F)CC1
InChIInChI=1S/C7H9F2NO/c8-7(9)3-1-5(2-4-7)6(10)11/h1H,2-4H2,(H2,10,11)
InChIKeyVDBTVAMZEDNMHQ-UHFFFAOYSA-N
MW161.15 g/mol
LogP1.22
Rot. Bonds1

About 4,4-difluorocyclohexene-1-carboxamide

4,4-difluorocyclohexene-1-carboxamide (PubChem CID 89312681) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 4,4-difluorocyclohexene-1-carboxamide.

Molecular Properties

Compound Name4,4-difluorocyclohexene-1-carboxamide
PubChem CID89312681
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name4,4-difluorocyclohexene-1-carboxamide
SMILESNC(=O)C1=CCC(F)(F)CC1
InChIInChI=1S/C7H9F2NO/c8-7(9)3-1-5(2-4-7)6(10)11/h1H,2-4H2,(H2,10,11)
InChIKeyVDBTVAMZEDNMHQ-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Pentafluorocyclohexene-1-carboxamide
CID 129738397
Oxocyclohexenecarboxamide
CID 55284421
Cyclohexenecarboxamide
CID 11366985
2-Fluorocyclohexene-1-carboxamide
CID 57708290
4-Iodo-6-(trifluoromethyl)cyclohexene-1-carboxamide
CID 134379636
2-Cyclohexyl-4,4,4-trifluorobut-2-enamide
CID 174986521
(E)-cyclododec-1-ene-1-carboxamide
CID 126970696
4-Fluorocyclohexa-1,3-diene-1-carboxamide
CID 22238835
N-(trifluoromethyl)cyclohexene-1-carboxamide
CID 133676492
3-(Trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide
CID 143457318
4-(Trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 148021444
(1E)-cyclooctene-1-carboxamide
CID 20040488

Frequently Asked Questions

What is the IUPAC name of 4,4-difluorocyclohexene-1-carboxamide?
The IUPAC name of 4,4-difluorocyclohexene-1-carboxamide (CID 89312681) is 4,4-difluorocyclohexene-1-carboxamide.
What is the SMILES notation for 4,4-difluorocyclohexene-1-carboxamide?
The canonical SMILES for 4,4-difluorocyclohexene-1-carboxamide is NC(=O)C1=CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluorocyclohexene-1-carboxamide?
The InChIKey is VDBTVAMZEDNMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c8-7(9)3-1-5(2-4-7)6(10)11/h1H,2-4H2,(H2,10,11).
What are the key properties of 4,4-difluorocyclohexene-1-carboxamide?
4,4-difluorocyclohexene-1-carboxamide has a molecular weight of 161.15 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorocyclohexene-1-carboxamide is sourced from PubChem (CID 89312681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).