1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide

C8H11F2NO — CID 178010707

IUPAC1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(C(F)F)CC1
InChIInChI=1S/C8H11F2NO/c1-2-5-11-7(12)8(3-4-8)6(9)10/h2,6H,1,3-5H2,(H,11,12)
InChIKeyPOBZXOQUFSAPPX-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.33
Rot. Bonds4

About 1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide

1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 178010707) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide
PubChem CID178010707
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(C(F)F)CC1
InChIInChI=1S/C8H11F2NO/c1-2-5-11-7(12)8(3-4-8)6(9)10/h2,6H,1,3-5H2,(H,11,12)
InChIKeyPOBZXOQUFSAPPX-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-trifluoro-N-prop-2-enylbutanamide
CID 65710764
(1S)-N-[(2R)-but-3-en-2-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 167134956
2,2-difluoro-N-prop-2-enylpent-4-enamide
CID 175182461
5,5-difluoro-N-prop-2-enylpentanamide
CID 176815907
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
2-cyclopropyl-2,2-difluoro-N-prop-2-enylacetamide
CID 178011388
N-[(E)-but-2-enyl]-1-(fluoromethyl)cyclopropane-1-carboxamide
CID 178011551
N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide;ethane
CID 178011570
N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide
CID 71671966
3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide
CID 71672164

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide (CID 178010707) is 1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide is C=CCNC(=O)C1(C(F)F)CC1.
What is the InChIKey of 1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide?
The InChIKey is POBZXOQUFSAPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-2-5-11-7(12)8(3-4-8)6(9)10/h2,6H,1,3-5H2,(H,11,12).
What are the key properties of 1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide?
1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 175.18 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 178010707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).