(Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine

C8H12F3N — CID 147963737

IUPAC(Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
SMILESCC/C(C)=C\C(=N/C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-4-6(2)5-7(12-3)8(9,10)11/h5H,4H2,1-3H3/b6-5-,12-7+
InChIKeyIPZFQYBVEKGVSJ-UNKATYBDSA-N
MW179.18 g/mol
LogP2.98
Rot. Bonds2

About (Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine

(Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine (PubChem CID 147963737) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
PubChem CID147963737
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name(Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
SMILESCC/C(C)=C\C(=N/C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-4-6(2)5-7(12-3)8(9,10)11/h5H,4H2,1-3H3/b6-5-,12-7+
InChIKeyIPZFQYBVEKGVSJ-UNKATYBDSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.98
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

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3-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 67489736
4-Ethyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 70307572
(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
CID 89101610
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-Trifluoro-4-methylpent-3-en-2-imine
CID 118281607
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine (CID 147963737) is (Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine is CC/C(C)=C\C(=N/C)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine?
The InChIKey is IPZFQYBVEKGVSJ-UNKATYBDSA-N. The full InChI is InChI=1S/C8H12F3N/c1-4-6(2)5-7(12-3)8(9,10)11/h5H,4H2,1-3H3/b6-5-,12-7+.
What are the key properties of (Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine?
(Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine has a molecular weight of 179.18 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine is sourced from PubChem (CID 147963737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).