(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine

C8H10F3N — CID 177050310

IUPAC(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
SMILESC=C/C(C)=C\C(=N/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-4-6(2)5-7(12-3)8(9,10)11/h4-5H,1H2,2-3H3/b6-5-,12-7+
InChIKeyHEIZYKVUIBNFCS-UNKATYBDSA-N
MW177.17 g/mol
LogP2.75
Rot. Bonds2

About (3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine

(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine (PubChem CID 177050310) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
PubChem CID177050310
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
SMILESC=C/C(C)=C\C(=N/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-4-6(2)5-7(12-3)8(9,10)11/h4-5H,1H2,2-3H3/b6-5-,12-7+
InChIKeyHEIZYKVUIBNFCS-UNKATYBDSA-N
XLogP2.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.75
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

(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine
CID 149273405
butane;(E)-6,6,6-trifluoro-3-methyl-5-methyliminohex-3-en-2-one
CID 171794466
ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene
CID 145071766
(2Z,4Z)-1,1-difluoro-1-iodo-2,5-dimethylhepta-2,4,6-trien-3-ol
CID 166907268
(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 169163898
1,1,1-trifluorobut-3-en-2-ylidenehydrazine
CID 118457579
2-methyl-3-methyliminopent-4-en-2-ol
CID 145069918
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine
CID 169488452
ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506
N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 143289392

Frequently Asked Questions

What is the IUPAC name of (3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine (CID 177050310) is (3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine is C=C/C(C)=C\C(=N/C)C(F)(F)F.
What is the InChIKey of (3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine?
The InChIKey is HEIZYKVUIBNFCS-UNKATYBDSA-N. The full InChI is InChI=1S/C8H10F3N/c1-4-6(2)5-7(12-3)8(9,10)11/h4-5H,1H2,2-3H3/b6-5-,12-7+.
What are the key properties of (3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine?
(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine has a molecular weight of 177.17 g/mol, XLogP of 2.75, 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,4-dimethylhexa-3,5-dien-2-imine is sourced from PubChem (CID 177050310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).