3-fluoro-2,5-dimethylhex-2-ene

C8H15F — CID 143626070

IUPAC3-fluoro-2,5-dimethylhex-2-ene
SMILESCC(C)=C(F)CC(C)C
InChIInChI=1S/C8H15F/c1-6(2)5-8(9)7(3)4/h6H,5H2,1-4H3
InChIKeyYTMRVVZCWKQPGZ-UHFFFAOYSA-N
MW130.21 g/mol
LogP3.30
Rot. Bonds2

About 3-fluoro-2,5-dimethylhex-2-ene

3-fluoro-2,5-dimethylhex-2-ene (PubChem CID 143626070) has the molecular formula C8H15F and a molecular weight of 130.21 g/mol. Its IUPAC name is 3-fluoro-2,5-dimethylhex-2-ene.

Molecular Properties

Compound Name3-fluoro-2,5-dimethylhex-2-ene
PubChem CID143626070
Molecular FormulaC8H15F
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name3-fluoro-2,5-dimethylhex-2-ene
SMILESCC(C)=C(F)CC(C)C
InChIInChI=1S/C8H15F/c1-6(2)5-8(9)7(3)4/h6H,5H2,1-4H3
InChIKeyYTMRVVZCWKQPGZ-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 3-fluoro-2,5-dimethylhex-2-ene?
The IUPAC name of 3-fluoro-2,5-dimethylhex-2-ene (CID 143626070) is 3-fluoro-2,5-dimethylhex-2-ene.
What is the SMILES notation for 3-fluoro-2,5-dimethylhex-2-ene?
The canonical SMILES for 3-fluoro-2,5-dimethylhex-2-ene is CC(C)=C(F)CC(C)C.
What is the InChIKey of 3-fluoro-2,5-dimethylhex-2-ene?
The InChIKey is YTMRVVZCWKQPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F/c1-6(2)5-8(9)7(3)4/h6H,5H2,1-4H3.
What are the key properties of 3-fluoro-2,5-dimethylhex-2-ene?
3-fluoro-2,5-dimethylhex-2-ene has a molecular weight of 130.21 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5-dimethylhex-2-ene is sourced from PubChem (CID 143626070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).