1,1,1-trifluoro-N-methylhex-3-en-2-imine

C7H10F3N — CID 123164940

IUPAC1,1,1-trifluoro-N-methylhex-3-en-2-imine
SMILESCCC=C/C(=N\C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-3-4-5-6(11-2)7(8,9)10/h4-5H,3H2,1-2H3/b5-4?,11-6+
InChIKeySKVWWBRQGDGDAW-TXTWTNGRSA-N
MW165.16 g/mol
LogP2.59
Rot. Bonds2

About 1,1,1-trifluoro-N-methylhex-3-en-2-imine

1,1,1-trifluoro-N-methylhex-3-en-2-imine (PubChem CID 123164940) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methylhex-3-en-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methylhex-3-en-2-imine
PubChem CID123164940
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name1,1,1-trifluoro-N-methylhex-3-en-2-imine
SMILESCCC=C/C(=N\C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-3-4-5-6(11-2)7(8,9)10/h4-5H,3H2,1-2H3/b5-4?,11-6+
InChIKeySKVWWBRQGDGDAW-TXTWTNGRSA-N
XLogP2.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.59
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-(trifluoromethyl)-2H-pyrrole
CID 58924994
3-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 67489736
(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine
CID 67991648
2-(Fluoromethyl)-6-methyl-2,3-dihydropyridine
CID 70459540
1,1,1-trifluoro-N-methylbut-3-en-2-imine
CID 88934320
1,1-difluoro-N-methylbut-3-en-2-imine
CID 89684270
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine
CID 91208998
(E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 91330788
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methylhex-3-en-2-imine?
The IUPAC name of 1,1,1-trifluoro-N-methylhex-3-en-2-imine (CID 123164940) is 1,1,1-trifluoro-N-methylhex-3-en-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-N-methylhex-3-en-2-imine?
The canonical SMILES for 1,1,1-trifluoro-N-methylhex-3-en-2-imine is CCC=C/C(=N\C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methylhex-3-en-2-imine?
The InChIKey is SKVWWBRQGDGDAW-TXTWTNGRSA-N. The full InChI is InChI=1S/C7H10F3N/c1-3-4-5-6(11-2)7(8,9)10/h4-5H,3H2,1-2H3/b5-4?,11-6+.
What are the key properties of 1,1,1-trifluoro-N-methylhex-3-en-2-imine?
1,1,1-trifluoro-N-methylhex-3-en-2-imine has a molecular weight of 165.16 g/mol, XLogP of 2.59, 2 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-methylhex-3-en-2-imine is sourced from PubChem (CID 123164940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).