(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine

C8H10F5N — CID 89073924

IUPAC(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine
SMILESCC/C(F)=C(C(\F)=C/CN)/C(F)(F)F
InChIInChI=1S/C8H10F5N/c1-2-5(9)7(8(11,12)13)6(10)3-4-14/h3H,2,4,14H2,1H3/b6-3+,7-5-
InChIKeyUJGVNJOLMVNJDW-MZECIPTHSA-N
MW215.16 g/mol
LogP2.99
Rot. Bonds3

About (2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine

(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine (PubChem CID 89073924) has the molecular formula C8H10F5N and a molecular weight of 215.16 g/mol. Its IUPAC name is (2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine
PubChem CID89073924
Molecular FormulaC8H10F5N
Molecular Weight215.16 g/mol
Exact Mass215.07
IUPAC Name(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine
SMILESCC/C(F)=C(C(\F)=C/CN)/C(F)(F)F
InChIInChI=1S/C8H10F5N/c1-2-5(9)7(8(11,12)13)6(10)3-4-14/h3H,2,4,14H2,1H3/b6-3+,7-5-
InChIKeyUJGVNJOLMVNJDW-MZECIPTHSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 52.99
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

(E)-3-(trifluoromethyl)pent-2-en-1-amine
CID 88915468
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine
CID 89153998
(2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine
CID 89215158
(2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine
CID 89269978
(2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine
CID 89270021
[5-Fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
CID 89270131
(2Z,4E,6Z)-3-fluoro-5-(trifluoromethyl)octa-2,4,6-trien-1-amine
CID 89270489
(2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine
CID 89371600
(2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine
CID 118487358
(3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine
CID 118911865
5,7,7,7-Tetrafluoro-6-methylhepta-3,5-dien-2-amine
CID 123723449

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine (CID 89073924) is (2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine is CC/C(F)=C(C(\F)=C/CN)/C(F)(F)F.
What is the InChIKey of (2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine?
The InChIKey is UJGVNJOLMVNJDW-MZECIPTHSA-N. The full InChI is InChI=1S/C8H10F5N/c1-2-5(9)7(8(11,12)13)6(10)3-4-14/h3H,2,4,14H2,1H3/b6-3+,7-5-.
What are the key properties of (2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine?
(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine has a molecular weight of 215.16 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine is sourced from PubChem (CID 89073924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).