2-fluoro-1,3,4-trimethylcyclohexene

C9H15F — CID 58151897

IUPAC2-fluoro-1,3,4-trimethylcyclohexene
SMILESCC1=C(F)C(C)C(C)CC1
InChIInChI=1S/C9H15F/c1-6-4-5-7(2)9(10)8(6)3/h6,8H,4-5H2,1-3H3
InChIKeyNYHZWXQRQVQONT-UHFFFAOYSA-N
MW142.22 g/mol
LogP3.30
Rot. Bonds

About 2-fluoro-1,3,4-trimethylcyclohexene

2-fluoro-1,3,4-trimethylcyclohexene (PubChem CID 58151897) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is 2-fluoro-1,3,4-trimethylcyclohexene.

Molecular Properties

Compound Name2-fluoro-1,3,4-trimethylcyclohexene
PubChem CID58151897
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name2-fluoro-1,3,4-trimethylcyclohexene
SMILESCC1=C(F)C(C)C(C)CC1
InChIInChI=1S/C9H15F/c1-6-4-5-7(2)9(10)8(6)3/h6,8H,4-5H2,1-3H3
InChIKeyNYHZWXQRQVQONT-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3,4-trimethylcyclohexene?
The IUPAC name of 2-fluoro-1,3,4-trimethylcyclohexene (CID 58151897) is 2-fluoro-1,3,4-trimethylcyclohexene.
What is the SMILES notation for 2-fluoro-1,3,4-trimethylcyclohexene?
The canonical SMILES for 2-fluoro-1,3,4-trimethylcyclohexene is CC1=C(F)C(C)C(C)CC1.
What is the InChIKey of 2-fluoro-1,3,4-trimethylcyclohexene?
The InChIKey is NYHZWXQRQVQONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F/c1-6-4-5-7(2)9(10)8(6)3/h6,8H,4-5H2,1-3H3.
What are the key properties of 2-fluoro-1,3,4-trimethylcyclohexene?
2-fluoro-1,3,4-trimethylcyclohexene has a molecular weight of 142.22 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3,4-trimethylcyclohexene is sourced from PubChem (CID 58151897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).