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

C8H12FN — CID 166837179

IUPAC(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C(F)=C\C(C)=C/C
InChIInChI=1S/C8H12FN/c1-4-6(2)5-8(9)7(3)10/h4-5H,3,10H2,1-2H3/b6-4-,8-5+
InChIKeyCVPKIBPLKVUYNZ-QXMOYCCXSA-N
MW141.19 g/mol
LogP2.28
Rot. Bonds2

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

(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine (PubChem CID 166837179) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine
PubChem CID166837179
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C(F)=C\C(C)=C/C
InChIInChI=1S/C8H12FN/c1-4-6(2)5-8(9)7(3)10/h4-5H,3,10H2,1-2H3/b6-4-,8-5+
InChIKeyCVPKIBPLKVUYNZ-QXMOYCCXSA-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,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine (CID 166837179) is (3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine is C=C(N)/C(F)=C\C(C)=C/C.
What is the InChIKey of (3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine?
The InChIKey is CVPKIBPLKVUYNZ-QXMOYCCXSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-6(2)5-8(9)7(3)10/h4-5H,3,10H2,1-2H3/b6-4-,8-5+.
What are the key properties of (3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine?
(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-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,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 166837179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).