(3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine

C9H12F3N — CID 166907287

IUPAC(3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C(C)=C/CC(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-4-8(13)7(2)5-6-9(10,11)12/h3-5H,1,6,13H2,2H3/b7-5-,8-4+
InChIKeyUANROGUGWPPMMC-DZAKWUEVSA-N
MW191.20 g/mol
LogP2.91
Rot. Bonds3

About (3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine

(3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine (PubChem CID 166907287) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine
PubChem CID166907287
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C(C)=C/CC(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-4-8(13)7(2)5-6-9(10,11)12/h3-5H,1,6,13H2,2H3/b7-5-,8-4+
InChIKeyUANROGUGWPPMMC-DZAKWUEVSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.91
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

(Z)-5,5,5-trifluoropent-2-en-2-amine
CID 155429423
ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene
CID 142204097
(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol
CID 88563032
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine
CID 155692973
(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene
CID 142246512
(2Z,3E)-2-ethylidenehexa-3,5-diene-1,3-diamine
CID 143142825
(1Z,3E)-2-amino-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3,5-triene-1-thiol
CID 89426000
(3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene
CID 171826400
(2E,4E)-4-bromohepta-2,4,6-trien-3-amine
CID 135198890
(2Z)-2-aminopenta-2,4-dienamide
CID 88558803
(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
CID 130371607

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine (CID 166907287) is (3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine is C=C/C=C(N)\C(C)=C/CC(F)(F)F.
What is the InChIKey of (3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine?
The InChIKey is UANROGUGWPPMMC-DZAKWUEVSA-N. The full InChI is InChI=1S/C9H12F3N/c1-3-4-8(13)7(2)5-6-9(10,11)12/h3-5H,1,6,13H2,2H3/b7-5-,8-4+.
What are the key properties of (3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine?
(3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine has a molecular weight of 191.20 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-amine is sourced from PubChem (CID 166907287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).