2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide

C13H22FNO — CID 126513991

IUPAC2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide
SMILESCCCC(C)(C)NC(=O)C1=C(F)CCCC1
InChIInChI=1S/C13H22FNO/c1-4-9-13(2,3)15-12(16)10-7-5-6-8-11(10)14/h4-9H2,1-3H3,(H,15,16)
InChIKeyIKCXNZHHKJWMMF-UHFFFAOYSA-N
MW227.32 g/mol
LogP3.48
Rot. Bonds4

About 2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide

2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide (PubChem CID 126513991) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide
PubChem CID126513991
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide
SMILESCCCC(C)(C)NC(=O)C1=C(F)CCCC1
InChIInChI=1S/C13H22FNO/c1-4-9-13(2,3)15-12(16)10-7-5-6-8-11(10)14/h4-9H2,1-3H3,(H,15,16)
InChIKeyIKCXNZHHKJWMMF-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide?
The IUPAC name of 2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide (CID 126513991) is 2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide?
The canonical SMILES for 2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide is CCCC(C)(C)NC(=O)C1=C(F)CCCC1.
What is the InChIKey of 2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide?
The InChIKey is IKCXNZHHKJWMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c1-4-9-13(2,3)15-12(16)10-7-5-6-8-11(10)14/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide?
2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide has a molecular weight of 227.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylpentan-2-yl)cyclohexene-1-carboxamide is sourced from PubChem (CID 126513991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).