N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide

C9H13F2NO — CID 130611636

IUPACN-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide
SMILESC=CC(C)NC(=O)C1C(C)C1(F)F
InChIInChI=1S/C9H13F2NO/c1-4-5(2)12-8(13)7-6(3)9(7,10)11/h4-7H,1H2,2-3H3,(H,12,13)
InChIKeyCEVLJBQKHPUNOY-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.58
Rot. Bonds3

About N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide

N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide (PubChem CID 130611636) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide
PubChem CID130611636
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC NameN-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide
SMILESC=CC(C)NC(=O)C1C(C)C1(F)F
InChIInChI=1S/C9H13F2NO/c1-4-5(2)12-8(13)7-6(3)9(7,10)11/h4-7H,1H2,2-3H3,(H,12,13)
InChIKeyCEVLJBQKHPUNOY-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.58
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

2-ethyl-N-(2,2,2-trifluoroethyl)but-3-enamide
CID 91227509
(2S)-2-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 138550312
(1S)-2,2-difluoro-N-hex-1-en-3-ylcyclopropane-1-carboxamide
CID 156091574
(1S)-2,2-difluoro-N-pent-4-en-2-ylcyclopropane-1-carboxamide
CID 156302655
N-[(2S)-but-3-en-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 164555636
N-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide
CID 165408304
(1S)-N-[(2R)-but-3-en-2-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 167134956
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
CID 178011026
2-cyclopropyl-2,2-difluoro-N-prop-2-enylacetamide
CID 178011388
4-amino-N-(4,4,4-trifluorobutan-2-yl)cyclopent-2-ene-1-carboxamide
CID 105937654
2,2-difluoro-3-methyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide
CID 127001204
N-but-3-en-2-yl-3,3-difluorocyclobutane-1-carboxamide
CID 130927376

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide?
The IUPAC name of N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide (CID 130611636) is N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide is C=CC(C)NC(=O)C1C(C)C1(F)F.
What is the InChIKey of N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide?
The InChIKey is CEVLJBQKHPUNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-4-5(2)12-8(13)7-6(3)9(7,10)11/h4-7H,1H2,2-3H3,(H,12,13).
What are the key properties of N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide?
N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide has a molecular weight of 189.20 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130611636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).