(3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine

C8H9F4N — CID 89214774

IUPAC(3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(C(\F)=C/C)/C(F)(F)F
InChIInChI=1S/C8H9F4N/c1-3-7(9)6(4-5(2)13)8(10,11)12/h3-4H,2,13H2,1H3/b6-4+,7-3+
InChIKeyKLNQFFWXFUPSNP-DVFLZCIWSA-N
MW195.16 g/mol
LogP2.82
Rot. Bonds2

About (3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine

(3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine (PubChem CID 89214774) has the molecular formula C8H9F4N and a molecular weight of 195.16 g/mol. Its IUPAC name is (3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine
PubChem CID89214774
Molecular FormulaC8H9F4N
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name(3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(C(\F)=C/C)/C(F)(F)F
InChIInChI=1S/C8H9F4N/c1-3-7(9)6(4-5(2)13)8(10,11)12/h3-4H,2,13H2,1H3/b6-4+,7-3+
InChIKeyKLNQFFWXFUPSNP-DVFLZCIWSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.82
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

2-Methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten
CID 58729804
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(2E,4E)-2-fluorohepta-2,4-dien-4-amine
CID 88953573
(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine
CID 88963377
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
6-Methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 89073819
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine
CID 89074088
3-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-amine
CID 89122883
(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 89140162
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine
CID 89153824

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine?
The IUPAC name of (3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine (CID 89214774) is (3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine is C=C(N)/C=C(C(\F)=C/C)/C(F)(F)F.
What is the InChIKey of (3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine?
The InChIKey is KLNQFFWXFUPSNP-DVFLZCIWSA-N. The full InChI is InChI=1S/C8H9F4N/c1-3-7(9)6(4-5(2)13)8(10,11)12/h3-4H,2,13H2,1H3/b6-4+,7-3+.
What are the key properties of (3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine?
(3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine has a molecular weight of 195.16 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine is sourced from PubChem (CID 89214774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).