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

C8H12F3N — CID 142438419

IUPAC(Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine
SMILESCCC/C=C\C(=N/C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-3-4-5-6-7(12-2)8(9,10)11/h5-6H,3-4H2,1-2H3/b6-5-,12-7+
InChIKeyNWWDESXFPQYUJA-UNKATYBDSA-N
MW179.19 g/mol
LogP2.98
Rot. Bonds3

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

(Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine (PubChem CID 142438419) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine
PubChem CID142438419
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name(Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine
SMILESCCC/C=C\C(=N/C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-3-4-5-6-7(12-2)8(9,10)11/h5-6H,3-4H2,1-2H3/b6-5-,12-7+
InChIKeyNWWDESXFPQYUJA-UNKATYBDSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
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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CID 67991646
(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine
CID 67991648
2-(Fluoromethyl)-6-methyl-2,3-dihydropyridine
CID 70459540
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
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
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
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine (CID 142438419) is (Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine is CCC/C=C\C(=N/C)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine?
The InChIKey is NWWDESXFPQYUJA-UNKATYBDSA-N. The full InChI is InChI=1S/C8H12F3N/c1-3-4-5-6-7(12-2)8(9,10)11/h5-6H,3-4H2,1-2H3/b6-5-,12-7+.
What are the key properties of (Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine?
(Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine has a molecular weight of 179.19 g/mol, XLogP of 2.98, 3 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-methylhept-3-en-2-imine is sourced from PubChem (CID 142438419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).