(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine

C8H14FN — CID 134405604

IUPAC(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine
SMILESC=C(NC)/C(C)=C/CCF
InChIInChI=1S/C8H14FN/c1-7(5-4-6-9)8(2)10-3/h5,10H,2,4,6H2,1,3H3/b7-5+
InChIKeyZHYDHVGYFAEJQT-FNORWQNLSA-N
MW143.20 g/mol
LogP2.03
Rot. Bonds4

About (3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine

(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine (PubChem CID 134405604) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine
PubChem CID134405604
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine
SMILESC=C(NC)/C(C)=C/CCF
InChIInChI=1S/C8H14FN/c1-7(5-4-6-9)8(2)10-3/h5,10H,2,4,6H2,1,3H3/b7-5+
InChIKeyZHYDHVGYFAEJQT-FNORWQNLSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.03
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 (3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine?
The IUPAC name of (3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine (CID 134405604) is (3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine is C=C(NC)/C(C)=C/CCF.
What is the InChIKey of (3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine?
The InChIKey is ZHYDHVGYFAEJQT-FNORWQNLSA-N. The full InChI is InChI=1S/C8H14FN/c1-7(5-4-6-9)8(2)10-3/h5,10H,2,4,6H2,1,3H3/b7-5+.
What are the key properties of (3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine?
(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine has a molecular weight of 143.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine is sourced from PubChem (CID 134405604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).