(E)-3-methyl-2-(trifluoromethyl)hex-3-enamide

C8H12F3NO — CID 163494123

IUPAC(E)-3-methyl-2-(trifluoromethyl)hex-3-enamide
SMILESCC/C=C(\C)C(C(N)=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-3-4-5(2)6(7(12)13)8(9,10)11/h4,6H,3H2,1-2H3,(H2,12,13)/b5-4+
InChIKeyCPFHAKFXMLIKII-SNAWJCMRSA-N
MW195.18 g/mol
LogP2.01
Rot. Bonds3

About (E)-3-methyl-2-(trifluoromethyl)hex-3-enamide

(E)-3-methyl-2-(trifluoromethyl)hex-3-enamide (PubChem CID 163494123) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is (E)-3-methyl-2-(trifluoromethyl)hex-3-enamide.

Molecular Properties

Compound Name(E)-3-methyl-2-(trifluoromethyl)hex-3-enamide
PubChem CID163494123
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name(E)-3-methyl-2-(trifluoromethyl)hex-3-enamide
SMILESCC/C=C(\C)C(C(N)=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-3-4-5(2)6(7(12)13)8(9,10)11/h4,6H,3H2,1-2H3,(H2,12,13)/b5-4+
InChIKeyCPFHAKFXMLIKII-SNAWJCMRSA-N
XLogP2.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.01
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

(E)-2-fluoro-2-(trifluoromethyl)oct-4-enamide
CID 21838982
2-Fluoro-2-trifluoromethyl-4-octenamide
CID 53835303
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide
CID 88586585
(3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide
CID 89270020
5-Fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
CID 129273137
4-Fluoro-3-methylcyclohepta-2,4,5-triene-1-carboxamide
CID 139540072
(3Z,5E)-3-ethenyl-5,8-difluoronona-3,5-dienamide
CID 145356893
(2S)-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)propanamide
CID 155426407
(E,3E)-4-fluoro-3-(1-fluoroethylidene)hex-4-enamide
CID 144302188
(Z,5S)-5-(trifluoromethyl)hept-3-enamide
CID 154561335
4-(Trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 162551023
(E)-2,3-dimethylpent-3-enamide
CID 23518687

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-2-(trifluoromethyl)hex-3-enamide?
The IUPAC name of (E)-3-methyl-2-(trifluoromethyl)hex-3-enamide (CID 163494123) is (E)-3-methyl-2-(trifluoromethyl)hex-3-enamide.
What is the SMILES notation for (E)-3-methyl-2-(trifluoromethyl)hex-3-enamide?
The canonical SMILES for (E)-3-methyl-2-(trifluoromethyl)hex-3-enamide is CC/C=C(\C)C(C(N)=O)C(F)(F)F.
What is the InChIKey of (E)-3-methyl-2-(trifluoromethyl)hex-3-enamide?
The InChIKey is CPFHAKFXMLIKII-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-3-4-5(2)6(7(12)13)8(9,10)11/h4,6H,3H2,1-2H3,(H2,12,13)/b5-4+.
What are the key properties of (E)-3-methyl-2-(trifluoromethyl)hex-3-enamide?
(E)-3-methyl-2-(trifluoromethyl)hex-3-enamide has a molecular weight of 195.18 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2-(trifluoromethyl)hex-3-enamide is sourced from PubChem (CID 163494123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).