(E)-2-fluoro-5-methylhept-2-ene

C8H15F — CID 89043043

IUPAC(E)-2-fluoro-5-methylhept-2-ene
SMILESCCC(C)C/C=C(\C)F
InChIInChI=1S/C8H15F/c1-4-7(2)5-6-8(3)9/h6-7H,4-5H2,1-3H3/b8-6+
InChIKeyVICAIUZUPGSFLB-SOFGYWHQSA-N
MW130.21 g/mol
LogP3.30
Rot. Bonds3

About (E)-2-fluoro-5-methylhept-2-ene

(E)-2-fluoro-5-methylhept-2-ene (PubChem CID 89043043) has the molecular formula C8H15F and a molecular weight of 130.21 g/mol. Its IUPAC name is (E)-2-fluoro-5-methylhept-2-ene.

Molecular Properties

Compound Name(E)-2-fluoro-5-methylhept-2-ene
PubChem CID89043043
Molecular FormulaC8H15F
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name(E)-2-fluoro-5-methylhept-2-ene
SMILESCCC(C)C/C=C(\C)F
InChIInChI=1S/C8H15F/c1-4-7(2)5-6-8(3)9/h6-7H,4-5H2,1-3H3/b8-6+
InChIKeyVICAIUZUPGSFLB-SOFGYWHQSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-5-methylhept-2-ene?
The IUPAC name of (E)-2-fluoro-5-methylhept-2-ene (CID 89043043) is (E)-2-fluoro-5-methylhept-2-ene.
What is the SMILES notation for (E)-2-fluoro-5-methylhept-2-ene?
The canonical SMILES for (E)-2-fluoro-5-methylhept-2-ene is CCC(C)C/C=C(\C)F.
What is the InChIKey of (E)-2-fluoro-5-methylhept-2-ene?
The InChIKey is VICAIUZUPGSFLB-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15F/c1-4-7(2)5-6-8(3)9/h6-7H,4-5H2,1-3H3/b8-6+.
What are the key properties of (E)-2-fluoro-5-methylhept-2-ene?
(E)-2-fluoro-5-methylhept-2-ene has a molecular weight of 130.21 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-5-methylhept-2-ene is sourced from PubChem (CID 89043043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).