4-fluoro-N,5-dimethylcyclohexene-1-carboxamide

C9H14FNO — CID 70191204

IUPAC4-fluoro-N,5-dimethylcyclohexene-1-carboxamide
SMILESCNC(=O)C1=CCC(F)C(C)C1
InChIInChI=1S/C9H14FNO/c1-6-5-7(9(12)11-2)3-4-8(6)10/h3,6,8H,4-5H2,1-2H3,(H,11,12)
InChIKeyFXOONLDPBQZGOD-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.43
Rot. Bonds1

About 4-fluoro-N,5-dimethylcyclohexene-1-carboxamide

4-fluoro-N,5-dimethylcyclohexene-1-carboxamide (PubChem CID 70191204) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-fluoro-N,5-dimethylcyclohexene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N,5-dimethylcyclohexene-1-carboxamide
PubChem CID70191204
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name4-fluoro-N,5-dimethylcyclohexene-1-carboxamide
SMILESCNC(=O)C1=CCC(F)C(C)C1
InChIInChI=1S/C9H14FNO/c1-6-5-7(9(12)11-2)3-4-8(6)10/h3,6,8H,4-5H2,1-2H3,(H,11,12)
InChIKeyFXOONLDPBQZGOD-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,5-dimethylcyclohexene-1-carboxamide?
The IUPAC name of 4-fluoro-N,5-dimethylcyclohexene-1-carboxamide (CID 70191204) is 4-fluoro-N,5-dimethylcyclohexene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N,5-dimethylcyclohexene-1-carboxamide?
The canonical SMILES for 4-fluoro-N,5-dimethylcyclohexene-1-carboxamide is CNC(=O)C1=CCC(F)C(C)C1.
What is the InChIKey of 4-fluoro-N,5-dimethylcyclohexene-1-carboxamide?
The InChIKey is FXOONLDPBQZGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-6-5-7(9(12)11-2)3-4-8(6)10/h3,6,8H,4-5H2,1-2H3,(H,11,12).
What are the key properties of 4-fluoro-N,5-dimethylcyclohexene-1-carboxamide?
4-fluoro-N,5-dimethylcyclohexene-1-carboxamide has a molecular weight of 171.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,5-dimethylcyclohexene-1-carboxamide is sourced from PubChem (CID 70191204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).