(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine

C10H14F3N — CID 153342668

IUPAC(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine
SMILESC=C(C)/N=C(/C=C(\C)CC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-5-8(4)6-9(10(11,12)13)14-7(2)3/h6H,2,5H2,1,3-4H3/b8-6+,14-9-
InChIKeyZNULROANKOJYJY-SUGUTGAESA-N
MW205.22 g/mol
LogP3.88
Rot. Bonds3

About (E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine

(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine (PubChem CID 153342668) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine
PubChem CID153342668
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine
SMILESC=C(C)/N=C(/C=C(\C)CC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-5-8(4)6-9(10(11,12)13)14-7(2)3/h6H,2,5H2,1,3-4H3/b8-6+,14-9-
InChIKeyZNULROANKOJYJY-SUGUTGAESA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.88
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
3,7-dimethyl-2-(trifluoromethyl)-4H-azepine
CID 134915987
(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560383
(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
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
(Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine
CID 123203347
(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
6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine
CID 123927403

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine?
The IUPAC name of (E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine (CID 153342668) is (E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine.
What is the SMILES notation for (E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine?
The canonical SMILES for (E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine is C=C(C)/N=C(/C=C(\C)CC)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine?
The InChIKey is ZNULROANKOJYJY-SUGUTGAESA-N. The full InChI is InChI=1S/C10H14F3N/c1-5-8(4)6-9(10(11,12)13)14-7(2)3/h6H,2,5H2,1,3-4H3/b8-6+,14-9-.
What are the key properties of (E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine?
(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine has a molecular weight of 205.22 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine is sourced from PubChem (CID 153342668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).