(1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine

C8H10F3N — CID 89129506

IUPAC(1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
SMILESC=C(C)/C=C\C(=C/N)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-6(2)3-4-7(5-12)8(9,10)11/h3-5H,1,12H2,2H3/b4-3-,7-5+
InChIKeyVJIBTGUMPBCILC-QVXLNCAUSA-N
MW177.17 g/mol
LogP2.52
Rot. Bonds2

About (1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine

(1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine (PubChem CID 89129506) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
PubChem CID89129506
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
SMILESC=C(C)/C=C\C(=C/N)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-6(2)3-4-7(5-12)8(9,10)11/h3-5H,1,12H2,2H3/b4-3-,7-5+
InChIKeyVJIBTGUMPBCILC-QVXLNCAUSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 87085214
(1E,3Z,6E)-1,6-difluoro-4-methylhepta-1,3,6-triene-1,7-diamine
CID 87422780
(1E,3Z)-4-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 88063248
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine
CID 88579423
(E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine
CID 88961311
(1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine
CID 89033831
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine
CID 89099064
(E)-2-ethenyl-5-fluorohex-2-en-1-amine
CID 89126655
(1Z,3E)-4-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89140156

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine (CID 89129506) is (1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine is C=C(C)/C=C\C(=C/N)C(F)(F)F.
What is the InChIKey of (1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The InChIKey is VJIBTGUMPBCILC-QVXLNCAUSA-N. The full InChI is InChI=1S/C8H10F3N/c1-6(2)3-4-7(5-12)8(9,10)11/h3-5H,1,12H2,2H3/b4-3-,7-5+.
What are the key properties of (1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
(1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine has a molecular weight of 177.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89129506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).