(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine

C9H14F3N — CID 178040101

IUPAC(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
SMILESC/C=C(CC(F)(F)F)\C(CC)=N\C
InChIInChI=1S/C9H14F3N/c1-4-7(6-9(10,11)12)8(5-2)13-3/h4H,5-6H2,1-3H3/b7-4-,13-8+
InChIKeyUHZLGADRSGOAQK-PZADHXCOSA-N
MW193.21 g/mol
LogP3.37
Rot. Bonds3

About (Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine

(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine (PubChem CID 178040101) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
PubChem CID178040101
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
SMILESC/C=C(CC(F)(F)F)\C(CC)=N\C
InChIInChI=1S/C9H14F3N/c1-4-7(6-9(10,11)12)8(5-2)13-3/h4H,5-6H2,1-3H3/b7-4-,13-8+
InChIKeyUHZLGADRSGOAQK-PZADHXCOSA-N
XLogP3.37
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 ≤ 53.37
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

(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(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
3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123476549
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine?
The IUPAC name of (Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine (CID 178040101) is (Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine.
What is the SMILES notation for (Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine?
The canonical SMILES for (Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine is C/C=C(CC(F)(F)F)\C(CC)=N\C.
What is the InChIKey of (Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine?
The InChIKey is UHZLGADRSGOAQK-PZADHXCOSA-N. The full InChI is InChI=1S/C9H14F3N/c1-4-7(6-9(10,11)12)8(5-2)13-3/h4H,5-6H2,1-3H3/b7-4-,13-8+.
What are the key properties of (Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine?
(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine has a molecular weight of 193.21 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine is sourced from PubChem (CID 178040101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).