(3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine

C8H12FN — CID 142246393

IUPAC(3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(C)\C(F)=C/C
InChIInChI=1S/C8H12FN/c1-4-7(9)6(3)8(10)5-2/h4-5H,2,10H2,1,3H3/b7-4+,8-6+
InChIKeyJKZIZVOVRWLTNC-IJYBVRAASA-N
MW141.19 g/mol
LogP2.28
Rot. Bonds2

About (3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine

(3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine (PubChem CID 142246393) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine
PubChem CID142246393
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(C)\C(F)=C/C
InChIInChI=1S/C8H12FN/c1-4-7(9)6(3)8(10)5-2/h4-5H,2,10H2,1,3H3/b7-4+,8-6+
InChIKeyJKZIZVOVRWLTNC-IJYBVRAASA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.28
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,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine (CID 142246393) is (3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine is C=C/C(N)=C(C)\C(F)=C/C.
What is the InChIKey of (3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine?
The InChIKey is JKZIZVOVRWLTNC-IJYBVRAASA-N. The full InChI is InChI=1S/C8H12FN/c1-4-7(9)6(3)8(10)5-2/h4-5H,2,10H2,1,3H3/b7-4+,8-6+.
What are the key properties of (3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine?
(3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine has a molecular weight of 141.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 142246393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).