N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide

C9H13F2NO — CID 178011001

IUPACN-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide
SMILESC/C=C/CNC(=O)C1(C(F)F)CC1
InChIInChI=1S/C9H13F2NO/c1-2-3-6-12-8(13)9(4-5-9)7(10)11/h2-3,7H,4-6H2,1H3,(H,12,13)/b3-2+
InChIKeyJNMUCKUHIPFTMJ-NSCUHMNNSA-N
MW189.20 g/mol
LogP1.72
Rot. Bonds4

About N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide

N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide (PubChem CID 178011001) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide
PubChem CID178011001
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC NameN-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide
SMILESC/C=C/CNC(=O)C1(C(F)F)CC1
InChIInChI=1S/C9H13F2NO/c1-2-3-6-12-8(13)9(4-5-9)7(10)11/h2-3,7H,4-6H2,1H3,(H,12,13)/b3-2+
InChIKeyJNMUCKUHIPFTMJ-NSCUHMNNSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.72
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

(1S)-N-[(2R)-but-3-en-2-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 167134956
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]-3-fluoro-2,2-dimethylpropanamide
CID 178010842
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
N-[(E)-4-aminobut-2-enyl]-4,4,4-trifluorobutanamide
CID 104461614
4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide
CID 114618417

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide (CID 178011001) is N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide is C/C=C/CNC(=O)C1(C(F)F)CC1.
What is the InChIKey of N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is JNMUCKUHIPFTMJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-2-3-6-12-8(13)9(4-5-9)7(10)11/h2-3,7H,4-6H2,1H3,(H,12,13)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide?
N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 189.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-1-(difluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 178011001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).