N-(3,3-difluorocyclopentyl)prop-2-enamide

C8H11F2NO — CID 131134012

IUPACN-(3,3-difluorocyclopentyl)prop-2-enamide
SMILESC=CC(=O)NC1CCC(F)(F)C1
InChIInChI=1S/C8H11F2NO/c1-2-7(12)11-6-3-4-8(9,10)5-6/h2,6H,1,3-5H2,(H,11,12)
InChIKeyAGYXYPNQSBQLBC-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.48
Rot. Bonds2

About N-(3,3-difluorocyclopentyl)prop-2-enamide

N-(3,3-difluorocyclopentyl)prop-2-enamide (PubChem CID 131134012) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is N-(3,3-difluorocyclopentyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclopentyl)prop-2-enamide
PubChem CID131134012
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC NameN-(3,3-difluorocyclopentyl)prop-2-enamide
SMILESC=CC(=O)NC1CCC(F)(F)C1
InChIInChI=1S/C8H11F2NO/c1-2-7(12)11-6-3-4-8(9,10)5-6/h2,6H,1,3-5H2,(H,11,12)
InChIKeyAGYXYPNQSBQLBC-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclopentyl)prop-2-enamide?
The IUPAC name of N-(3,3-difluorocyclopentyl)prop-2-enamide (CID 131134012) is N-(3,3-difluorocyclopentyl)prop-2-enamide.
What is the SMILES notation for N-(3,3-difluorocyclopentyl)prop-2-enamide?
The canonical SMILES for N-(3,3-difluorocyclopentyl)prop-2-enamide is C=CC(=O)NC1CCC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclopentyl)prop-2-enamide?
The InChIKey is AGYXYPNQSBQLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-2-7(12)11-6-3-4-8(9,10)5-6/h2,6H,1,3-5H2,(H,11,12).
What are the key properties of N-(3,3-difluorocyclopentyl)prop-2-enamide?
N-(3,3-difluorocyclopentyl)prop-2-enamide has a molecular weight of 175.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclopentyl)prop-2-enamide is sourced from PubChem (CID 131134012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).