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

C8H14FN — CID 89215158

IUPAC(2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine
SMILESCC/C=C(C)\C(F)=C/CN
InChIInChI=1S/C8H14FN/c1-3-4-7(2)8(9)5-6-10/h4-5H,3,6,10H2,1-2H3/b7-4-,8-5+
InChIKeyKCARTGQEGFBRHX-DKBJKEKUSA-N
MW143.20 g/mol
LogP2.15
Rot. Bonds3

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

(2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine (PubChem CID 89215158) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine
PubChem CID89215158
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine
SMILESCC/C=C(C)\C(F)=C/CN
InChIInChI=1S/C8H14FN/c1-3-4-7(2)8(9)5-6-10/h4-5H,3,6,10H2,1-2H3/b7-4-,8-5+
InChIKeyKCARTGQEGFBRHX-DKBJKEKUSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.15
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 (2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine (CID 89215158) is (2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine is CC/C=C(C)\C(F)=C/CN.
What is the InChIKey of (2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine?
The InChIKey is KCARTGQEGFBRHX-DKBJKEKUSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-4-7(2)8(9)5-6-10/h4-5H,3,6,10H2,1-2H3/b7-4-,8-5+.
What are the key properties of (2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine?
(2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine has a molecular weight of 143.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-fluoro-4-methylhepta-2,4-dien-1-amine is sourced from PubChem (CID 89215158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).