(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine

C8H9F4N — CID 134448074

IUPAC(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C(/C)F)C(F)(F)F
InChIInChI=1S/C8H9F4N/c1-5(8(10,11)12)3-4-7(13)6(2)9/h3-4H,1,13H2,2H3/b4-3-,7-6-
InChIKeyGBVIYAXLURVLRG-CWWKMNTPSA-N
MW195.16 g/mol
LogP2.82
Rot. Bonds2

About (2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine

(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine (PubChem CID 134448074) has the molecular formula C8H9F4N and a molecular weight of 195.16 g/mol. Its IUPAC name is (2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
PubChem CID134448074
Molecular FormulaC8H9F4N
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C(/C)F)C(F)(F)F
InChIInChI=1S/C8H9F4N/c1-5(8(10,11)12)3-4-7(13)6(2)9/h3-4H,1,13H2,2H3/b4-3-,7-6-
InChIKeyGBVIYAXLURVLRG-CWWKMNTPSA-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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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine?
The IUPAC name of (2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine (CID 134448074) is (2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine is C=C(/C=C\C(N)=C(/C)F)C(F)(F)F.
What is the InChIKey of (2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine?
The InChIKey is GBVIYAXLURVLRG-CWWKMNTPSA-N. The full InChI is InChI=1S/C8H9F4N/c1-5(8(10,11)12)3-4-7(13)6(2)9/h3-4H,1,13H2,2H3/b4-3-,7-6-.
What are the key properties of (2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine?
(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-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 (2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 134448074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).