2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide

C12H20FNO — CID 126513876

IUPAC2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide
SMILESCCC(C)(CC)NC(=O)C1=C(F)CCC1
InChIInChI=1S/C12H20FNO/c1-4-12(3,5-2)14-11(15)9-7-6-8-10(9)13/h4-8H2,1-3H3,(H,14,15)
InChIKeyFWAIWEFSEXQNQW-UHFFFAOYSA-N
MW213.30 g/mol
LogP3.09
Rot. Bonds4

About 2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide

2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide (PubChem CID 126513876) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide
PubChem CID126513876
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide
SMILESCCC(C)(CC)NC(=O)C1=C(F)CCC1
InChIInChI=1S/C12H20FNO/c1-4-12(3,5-2)14-11(15)9-7-6-8-10(9)13/h4-8H2,1-3H3,(H,14,15)
InChIKeyFWAIWEFSEXQNQW-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide?
The IUPAC name of 2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide (CID 126513876) is 2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide?
The canonical SMILES for 2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide is CCC(C)(CC)NC(=O)C1=C(F)CCC1.
What is the InChIKey of 2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide?
The InChIKey is FWAIWEFSEXQNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c1-4-12(3,5-2)14-11(15)9-7-6-8-10(9)13/h4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide?
2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide has a molecular weight of 213.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide is sourced from PubChem (CID 126513876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).