(5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine

C8H11F4N — CID 89073929

IUPAC(5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine
SMILESC=CC(N)C/C=C(/F)CC(F)(F)F
InChIInChI=1S/C8H11F4N/c1-2-7(13)4-3-6(9)5-8(10,11)12/h2-3,7H,1,4-5,13H2/b6-3+
InChIKeyCKGXAPGBVGGHON-ZZXKWVIFSA-N
MW197.17 g/mol
LogP2.70
Rot. Bonds4

About (5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine

(5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine (PubChem CID 89073929) has the molecular formula C8H11F4N and a molecular weight of 197.17 g/mol. Its IUPAC name is (5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine.

Molecular Properties

Compound Name(5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine
PubChem CID89073929
Molecular FormulaC8H11F4N
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Name(5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine
SMILESC=CC(N)C/C=C(/F)CC(F)(F)F
InChIInChI=1S/C8H11F4N/c1-2-7(13)4-3-6(9)5-8(10,11)12/h2-3,7H,1,4-5,13H2/b6-3+
InChIKeyCKGXAPGBVGGHON-ZZXKWVIFSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine?
The IUPAC name of (5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine (CID 89073929) is (5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine.
What is the SMILES notation for (5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine?
The canonical SMILES for (5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine is C=CC(N)C/C=C(/F)CC(F)(F)F.
What is the InChIKey of (5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine?
The InChIKey is CKGXAPGBVGGHON-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H11F4N/c1-2-7(13)4-3-6(9)5-8(10,11)12/h2-3,7H,1,4-5,13H2/b6-3+.
What are the key properties of (5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine?
(5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine has a molecular weight of 197.17 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6,8,8,8-tetrafluoroocta-1,5-dien-3-amine is sourced from PubChem (CID 89073929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).