(E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine

C12H20F3N — CID 145114030

IUPAC(E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine
SMILESCCCC(/C=C(\C)C(F)(F)F)=N\C(C)CC
InChIInChI=1S/C12H20F3N/c1-5-7-11(16-10(4)6-2)8-9(3)12(13,14)15/h8,10H,5-7H2,1-4H3/b9-8+,16-11+
InChIKeyFPGLZYNHSBXGBX-CEKJNPHKSA-N
MW235.29 g/mol
LogP4.53
Rot. Bonds5

About (E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine

(E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine (PubChem CID 145114030) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is (E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine.

Molecular Properties

Compound Name(E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine
PubChem CID145114030
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name(E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine
SMILESCCCC(/C=C(\C)C(F)(F)F)=N\C(C)CC
InChIInChI=1S/C12H20F3N/c1-5-7-11(16-10(4)6-2)8-9(3)12(13,14)15/h8,10H,5-7H2,1-4H3/b9-8+,16-11+
InChIKeyFPGLZYNHSBXGBX-CEKJNPHKSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.53
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

4-Ethyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 70307572
(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
CID 89101610
(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine
CID 91344076
6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine
CID 123180150
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine
CID 123240234
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819

Frequently Asked Questions

What is the IUPAC name of (E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine?
The IUPAC name of (E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine (CID 145114030) is (E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine.
What is the SMILES notation for (E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine?
The canonical SMILES for (E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine is CCCC(/C=C(\C)C(F)(F)F)=N\C(C)CC.
What is the InChIKey of (E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine?
The InChIKey is FPGLZYNHSBXGBX-CEKJNPHKSA-N. The full InChI is InChI=1S/C12H20F3N/c1-5-7-11(16-10(4)6-2)8-9(3)12(13,14)15/h8,10H,5-7H2,1-4H3/b9-8+,16-11+.
What are the key properties of (E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine?
(E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine has a molecular weight of 235.29 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butan-2-yl-1,1,1-trifluoro-2-methylhept-2-en-4-imine is sourced from PubChem (CID 145114030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).