(2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine

C8H15FN2 — CID 89000282

IUPAC(2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine
SMILESC/C=C(N)\C(N)=C/C(C)CF
InChIInChI=1S/C8H15FN2/c1-3-7(10)8(11)4-6(2)5-9/h3-4,6H,5,10-11H2,1-2H3/b7-3+,8-4+
InChIKeyNMNCSLNFBPMXDE-FCXRPNKRSA-N
MW158.22 g/mol
LogP1.30
Rot. Bonds3

About (2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine

(2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine (PubChem CID 89000282) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine.

Molecular Properties

Compound Name(2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine
PubChem CID89000282
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine
SMILESC/C=C(N)\C(N)=C/C(C)CF
InChIInChI=1S/C8H15FN2/c1-3-7(10)8(11)4-6(2)5-9/h3-4,6H,5,10-11H2,1-2H3/b7-3+,8-4+
InChIKeyNMNCSLNFBPMXDE-FCXRPNKRSA-N
XLogP1.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine?
The IUPAC name of (2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine (CID 89000282) is (2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine.
What is the SMILES notation for (2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine?
The canonical SMILES for (2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine is C/C=C(N)\C(N)=C/C(C)CF.
What is the InChIKey of (2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine?
The InChIKey is NMNCSLNFBPMXDE-FCXRPNKRSA-N. The full InChI is InChI=1S/C8H15FN2/c1-3-7(10)8(11)4-6(2)5-9/h3-4,6H,5,10-11H2,1-2H3/b7-3+,8-4+.
What are the key properties of (2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine?
(2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine has a molecular weight of 158.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-fluoro-6-methylhepta-2,4-diene-3,4-diamine is sourced from PubChem (CID 89000282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).