3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide

C10H15F2NO — CID 126784866

IUPAC3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCN(C)C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C10H15F2NO/c1-3-6-13(2)9(14)8-4-5-10(11,12)7-8/h3,8H,1,4-7H2,2H3
InChIKeyFEFPMXIOSQYQCR-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.07
Rot. Bonds3

About 3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide

3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide (PubChem CID 126784866) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide
PubChem CID126784866
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCN(C)C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C10H15F2NO/c1-3-6-13(2)9(14)8-4-5-10(11,12)7-8/h3,8H,1,4-7H2,2H3
InChIKeyFEFPMXIOSQYQCR-UHFFFAOYSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
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 3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide (CID 126784866) is 3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide is C=CCN(C)C(=O)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide?
The InChIKey is FEFPMXIOSQYQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-3-6-13(2)9(14)8-4-5-10(11,12)7-8/h3,8H,1,4-7H2,2H3.
What are the key properties of 3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide?
3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide has a molecular weight of 203.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-N-prop-2-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 126784866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).