2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide

C11H18FNO — CID 145184500

IUPAC2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide
SMILESCCC(C)(C)NC(=O)C1=C(F)CCC1
InChIInChI=1S/C11H18FNO/c1-4-11(2,3)13-10(14)8-6-5-7-9(8)12/h4-7H2,1-3H3,(H,13,14)
InChIKeyMBVXFEBDWVDEJM-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.70
Rot. Bonds3

About 2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide

2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide (PubChem CID 145184500) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide
PubChem CID145184500
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide
SMILESCCC(C)(C)NC(=O)C1=C(F)CCC1
InChIInChI=1S/C11H18FNO/c1-4-11(2,3)13-10(14)8-6-5-7-9(8)12/h4-7H2,1-3H3,(H,13,14)
InChIKeyMBVXFEBDWVDEJM-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-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-(2-methylbutan-2-yl)cyclopentene-1-carboxamide?
The IUPAC name of 2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide (CID 145184500) is 2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide?
The canonical SMILES for 2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide is CCC(C)(C)NC(=O)C1=C(F)CCC1.
What is the InChIKey of 2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide?
The InChIKey is MBVXFEBDWVDEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-4-11(2,3)13-10(14)8-6-5-7-9(8)12/h4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide?
2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide has a molecular weight of 199.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylbutan-2-yl)cyclopentene-1-carboxamide is sourced from PubChem (CID 145184500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).