2-fluoro-4-methylpentane

C6H13F — CID 12994092

IUPAC2-fluoro-4-methylpentane
SMILESCC(C)CC(C)F
InChIInChI=1S/C6H13F/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3
InChIKeyBYHGATRUPQLTMH-UHFFFAOYSA-N
MW104.17 g/mol
LogP2.39
Rot. Bonds2

About 2-fluoro-4-methylpentane

2-fluoro-4-methylpentane (PubChem CID 12994092) has the molecular formula C6H13F and a molecular weight of 104.17 g/mol. Its IUPAC name is 2-fluoro-4-methylpentane.

Molecular Properties

Compound Name2-fluoro-4-methylpentane
PubChem CID12994092
Molecular FormulaC6H13F
Molecular Weight104.17 g/mol
Exact Mass104.10
IUPAC Name2-fluoro-4-methylpentane
SMILESCC(C)CC(C)F
InChIInChI=1S/C6H13F/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3
InChIKeyBYHGATRUPQLTMH-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-fluoro-4-methylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylpentane?
The IUPAC name of 2-fluoro-4-methylpentane (CID 12994092) is 2-fluoro-4-methylpentane.
What is the SMILES notation for 2-fluoro-4-methylpentane?
The canonical SMILES for 2-fluoro-4-methylpentane is CC(C)CC(C)F.
What is the InChIKey of 2-fluoro-4-methylpentane?
The InChIKey is BYHGATRUPQLTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3.
What are the key properties of 2-fluoro-4-methylpentane?
2-fluoro-4-methylpentane has a molecular weight of 104.17 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylpentane is sourced from PubChem (CID 12994092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).