(2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine

C8H9F4N — CID 118487358

IUPAC(2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine
SMILESC=C(F)/C(=C\C=C/CN)C(F)(F)F
InChIInChI=1S/C8H9F4N/c1-6(9)7(8(10,11)12)4-2-3-5-13/h2-4H,1,5,13H2/b3-2-,7-4+
InChIKeyNQHADNBXSWADHJ-UDJLOATDSA-N
MW195.16 g/mol
LogP2.47
Rot. Bonds3

About (2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine

(2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine (PubChem CID 118487358) has the molecular formula C8H9F4N and a molecular weight of 195.16 g/mol. Its IUPAC name is (2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine
PubChem CID118487358
Molecular FormulaC8H9F4N
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name(2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine
SMILESC=C(F)/C(=C\C=C/CN)C(F)(F)F
InChIInChI=1S/C8H9F4N/c1-6(9)7(8(10,11)12)4-2-3-5-13/h2-4H,1,5,13H2/b3-2-,7-4+
InChIKeyNQHADNBXSWADHJ-UDJLOATDSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.47
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,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine (CID 118487358) is (2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine is C=C(F)/C(=C\C=C/CN)C(F)(F)F.
What is the InChIKey of (2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine?
The InChIKey is NQHADNBXSWADHJ-UDJLOATDSA-N. The full InChI is InChI=1S/C8H9F4N/c1-6(9)7(8(10,11)12)4-2-3-5-13/h2-4H,1,5,13H2/b3-2-,7-4+.
What are the key properties of (2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine?
(2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine has a molecular weight of 195.16 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-fluoro-5-(trifluoromethyl)hepta-2,4,6-trien-1-amine is sourced from PubChem (CID 118487358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).