2-fluoro-1,3,5-trimethylcyclohexane

C9H17F — CID 58252639

IUPAC2-fluoro-1,3,5-trimethylcyclohexane
SMILESCC1CC(C)C(F)C(C)C1
InChIInChI=1S/C9H17F/c1-6-4-7(2)9(10)8(3)5-6/h6-9H,4-5H2,1-3H3
InChIKeyMIBJLWICIZHKER-UHFFFAOYSA-N
MW144.23 g/mol
LogP3.03
Rot. Bonds

About 2-fluoro-1,3,5-trimethylcyclohexane

2-fluoro-1,3,5-trimethylcyclohexane (PubChem CID 58252639) has the molecular formula C9H17F and a molecular weight of 144.23 g/mol. Its IUPAC name is 2-fluoro-1,3,5-trimethylcyclohexane.

Molecular Properties

Compound Name2-fluoro-1,3,5-trimethylcyclohexane
PubChem CID58252639
Molecular FormulaC9H17F
Molecular Weight144.23 g/mol
Exact Mass144.13
IUPAC Name2-fluoro-1,3,5-trimethylcyclohexane
SMILESCC1CC(C)C(F)C(C)C1
InChIInChI=1S/C9H17F/c1-6-4-7(2)9(10)8(3)5-6/h6-9H,4-5H2,1-3H3
InChIKeyMIBJLWICIZHKER-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3,5-trimethylcyclohexane?
The IUPAC name of 2-fluoro-1,3,5-trimethylcyclohexane (CID 58252639) is 2-fluoro-1,3,5-trimethylcyclohexane.
What is the SMILES notation for 2-fluoro-1,3,5-trimethylcyclohexane?
The canonical SMILES for 2-fluoro-1,3,5-trimethylcyclohexane is CC1CC(C)C(F)C(C)C1.
What is the InChIKey of 2-fluoro-1,3,5-trimethylcyclohexane?
The InChIKey is MIBJLWICIZHKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F/c1-6-4-7(2)9(10)8(3)5-6/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-fluoro-1,3,5-trimethylcyclohexane?
2-fluoro-1,3,5-trimethylcyclohexane has a molecular weight of 144.23 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3,5-trimethylcyclohexane is sourced from PubChem (CID 58252639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).