N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide

C10H16FNO — CID 131084626

IUPACN-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide
SMILESCC(C)(CF)NC(=O)C1CC=CC1
InChIInChI=1S/C10H16FNO/c1-10(2,7-11)12-9(13)8-5-3-4-6-8/h3-4,8H,5-7H2,1-2H3,(H,12,13)
InChIKeyVXAXXMABUXJIRH-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.82
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide

N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide (PubChem CID 131084626) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide
PubChem CID131084626
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide
SMILESCC(C)(CF)NC(=O)C1CC=CC1
InChIInChI=1S/C10H16FNO/c1-10(2,7-11)12-9(13)8-5-3-4-6-8/h3-4,8H,5-7H2,1-2H3,(H,12,13)
InChIKeyVXAXXMABUXJIRH-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide (CID 131084626) is N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide is CC(C)(CF)NC(=O)C1CC=CC1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide?
The InChIKey is VXAXXMABUXJIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-10(2,7-11)12-9(13)8-5-3-4-6-8/h3-4,8H,5-7H2,1-2H3,(H,12,13).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide?
N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide has a molecular weight of 185.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 131084626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).