1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine

C9H14F3N — CID 168972393

IUPAC1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine
SMILESCC/C=C(C)/N=C(\CC)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-4-6-7(3)13-8(5-2)9(10,11)12/h6H,4-5H2,1-3H3/b7-6+,13-8+
InChIKeyWHUKUUPSJBSDMK-GTTXMNNRSA-N
MW193.21 g/mol
LogP3.71
Rot. Bonds3

About 1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine

1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine (PubChem CID 168972393) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine
PubChem CID168972393
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine
SMILESCC/C=C(C)/N=C(\CC)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-4-6-7(3)13-8(5-2)9(10,11)12/h6H,4-5H2,1-3H3/b7-6+,13-8+
InChIKeyWHUKUUPSJBSDMK-GTTXMNNRSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5,7-Dimethyl-2-trifluoromethyl-4H-azepine
CID 14610094
(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
6-Methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 68384839
5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560383
2-Methyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 91155360
2-Fluoro-6-methyl-3,4-dihydropyridine
CID 117732618
(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
(Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)pent-3-en-2-imine
CID 131996217
(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
CID 134219972
3-Fluoro-2,6-dimethyl-3,4-dihydropyridine
CID 134593926
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine
CID 135140839
(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 137401028

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine?
The IUPAC name of 1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine (CID 168972393) is 1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine?
The canonical SMILES for 1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine is CC/C=C(C)/N=C(\CC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine?
The InChIKey is WHUKUUPSJBSDMK-GTTXMNNRSA-N. The full InChI is InChI=1S/C9H14F3N/c1-4-6-7(3)13-8(5-2)9(10,11)12/h6H,4-5H2,1-3H3/b7-6+,13-8+.
What are the key properties of 1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine?
1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine has a molecular weight of 193.21 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine is sourced from PubChem (CID 168972393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).