2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide

C10H16FNO — CID 126513993

IUPAC2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide
SMILESCC(C)NC(=O)C1=C(F)CCCC1
InChIInChI=1S/C10H16FNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyMYWLVAYRMOFJOK-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.31
Rot. Bonds2

About 2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide

2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide (PubChem CID 126513993) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide
PubChem CID126513993
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide
SMILESCC(C)NC(=O)C1=C(F)CCCC1
InChIInChI=1S/C10H16FNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyMYWLVAYRMOFJOK-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide?
The IUPAC name of 2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide (CID 126513993) is 2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide?
The canonical SMILES for 2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide is CC(C)NC(=O)C1=C(F)CCCC1.
What is the InChIKey of 2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide?
The InChIKey is MYWLVAYRMOFJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide?
2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide has a molecular weight of 185.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide is sourced from PubChem (CID 126513993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).