(Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine

C8H12F3N — CID 163963041

IUPAC(Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine
SMILES[H]/N=C(/C=C\C(C)CC)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-3-6(2)4-5-7(12)8(9,10)11/h4-6,12H,3H2,1-2H3/b5-4-,12-7-
InChIKeySJELNUFQYCZRDV-QAWFIIPJSA-N
MW179.19 g/mol
LogP3.17
Rot. Bonds3

About (Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine

(Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine (PubChem CID 163963041) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine
PubChem CID163963041
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name(Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine
SMILES[H]/N=C(/C=C\C(C)CC)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-3-6(2)4-5-7(12)8(9,10)11/h4-6,12H,3H2,1-2H3/b5-4-,12-7-
InChIKeySJELNUFQYCZRDV-QAWFIIPJSA-N
XLogP3.17
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]but-3-en-2-imine
CID 89021973
(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine
CID 91250232
1,1,1-Trifluoro-4-methylpent-3-en-2-imine
CID 118281607
(E)-4-fluoro-5-methylhex-3-en-2-imine
CID 123219991
6-Methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
CID 123479377
(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123634361
2-Fluoro-4,4-dimethylcyclohepta-2,6-dien-1-imine
CID 123673350
(Z)-1,1,1-trifluoropent-3-en-2-imine
CID 123695084
2-Fluoro-5-methylcyclohepta-2,6-dien-1-imine
CID 123756912
1,1,1-Trifluoropent-3-en-2-imine
CID 123873216
(Z)-2,6-difluorohept-4-en-3-imine
CID 123953026
(Z)-1,1,1-trifluorohept-4-en-3-imine
CID 132023695

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine (CID 163963041) is (Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine is [H]/N=C(/C=C\C(C)CC)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine?
The InChIKey is SJELNUFQYCZRDV-QAWFIIPJSA-N. The full InChI is InChI=1S/C8H12F3N/c1-3-6(2)4-5-7(12)8(9,10)11/h4-6,12H,3H2,1-2H3/b5-4-,12-7-.
What are the key properties of (Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine?
(Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine has a molecular weight of 179.19 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine is sourced from PubChem (CID 163963041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).