(1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine

C8H12FN — CID 143349291

IUPAC(1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C(F)=C/C(C)=C/N
InChIInChI=1S/C8H12FN/c1-3-4-8(9)5-7(2)6-10/h3-6H,10H2,1-2H3/b4-3-,7-6+,8-5+
InChIKeyXFODLGIMZCDPMX-PEHJDXBOSA-N
MW141.19 g/mol
LogP2.28
Rot. Bonds2

About (1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine

(1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine (PubChem CID 143349291) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine
PubChem CID143349291
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C(F)=C/C(C)=C/N
InChIInChI=1S/C8H12FN/c1-3-4-8(9)5-7(2)6-10/h3-6H,10H2,1-2H3/b4-3-,7-6+,8-5+
InChIKeyXFODLGIMZCDPMX-PEHJDXBOSA-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 (1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine (CID 143349291) is (1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine is C/C=C\C(F)=C/C(C)=C/N.
What is the InChIKey of (1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine?
The InChIKey is XFODLGIMZCDPMX-PEHJDXBOSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-4-8(9)5-7(2)6-10/h3-6H,10H2,1-2H3/b4-3-,7-6+,8-5+.
What are the key properties of (1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine?
(1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-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 (1E,3E,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 143349291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).