(3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine

C7H8F3N — CID 145207763

IUPAC(3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine
SMILESC=C/C=C\C(=N/C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-4-5-6(11-2)7(8,9)10/h3-5H,1H2,2H3/b5-4-,11-6+
InChIKeyZTKJIMVHCRCRDC-UMEJXRAUSA-N
MW163.14 g/mol
LogP2.36
Rot. Bonds2

About (3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine

(3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine (PubChem CID 145207763) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is (3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine
PubChem CID145207763
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name(3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine
SMILESC=C/C=C\C(=N/C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-4-5-6(11-2)7(8,9)10/h3-5H,1H2,2H3/b5-4-,11-6+
InChIKeyZTKJIMVHCRCRDC-UMEJXRAUSA-N
XLogP2.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 67489736
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
(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-N,4-dimethylhex-3-en-2-imine
CID 123152051
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(Z)-N-(trifluoromethyl)hex-4-en-3-imine
CID 123213688
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830

Frequently Asked Questions

What is the IUPAC name of (3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine (CID 145207763) is (3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine is C=C/C=C\C(=N/C)C(F)(F)F.
What is the InChIKey of (3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine?
The InChIKey is ZTKJIMVHCRCRDC-UMEJXRAUSA-N. The full InChI is InChI=1S/C7H8F3N/c1-3-4-5-6(11-2)7(8,9)10/h3-5H,1H2,2H3/b5-4-,11-6+.
What are the key properties of (3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine?
(3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine has a molecular weight of 163.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine is sourced from PubChem (CID 145207763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).