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

C8H11F2NO — CID 131176141

IUPAC2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1C(C)C1(F)F
InChIInChI=1S/C8H11F2NO/c1-3-4-11-7(12)6-5(2)8(6,9)10/h3,5-6H,1,4H2,2H3,(H,11,12)
InChIKeyJCNQRUOUTPWAHG-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.19
Rot. Bonds3

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

2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 131176141) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide
PubChem CID131176141
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1C(C)C1(F)F
InChIInChI=1S/C8H11F2NO/c1-3-4-11-7(12)6-5(2)8(6,9)10/h3,5-6H,1,4H2,2H3,(H,11,12)
InChIKeyJCNQRUOUTPWAHG-UHFFFAOYSA-N
XLogP1.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-prop-2-enylpentanamide
CID 22975877
2-(2,2-difluorocyclopropyl)-N-ethylacetamide
CID 129280946
2-fluoro-3-methyl-N-prop-2-enyl-2-(trifluoromethyl)pentanamide
CID 132064133
(1S)-2,2-difluoro-N-hex-1-en-3-ylcyclopropane-1-carboxamide
CID 156091574
(1S)-N-[(2R)-but-3-en-2-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 167134956
2-(2,2-difluorocyclopropyl)-N-propylacetamide
CID 170235581
N-(1-fluoroprop-2-enyl)pentanamide
CID 174776839
5,5-difluoro-N-prop-2-enylpentanamide
CID 176815907
1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 178010707
N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane
CID 178010795
N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide
CID 178011001
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
CID 178011026

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide (CID 131176141) is 2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide is C=CCNC(=O)C1C(C)C1(F)F.
What is the InChIKey of 2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide?
The InChIKey is JCNQRUOUTPWAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-3-4-11-7(12)6-5(2)8(6,9)10/h3,5-6H,1,4H2,2H3,(H,11,12).
What are the key properties of 2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide?
2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 175.18 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 131176141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).