1-fluoro-3-methylbutane

C5H11F — CID 23510607

IUPAC1-fluoro-3-methylbutane
SMILESCC(C)CCF
InChIInChI=1S/C5H11F/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
InChIKeyTVHQEXCGMKZBME-UHFFFAOYSA-N
MW90.14 g/mol
LogP2.00
Rot. Bonds2

About 1-fluoro-3-methylbutane

1-fluoro-3-methylbutane (PubChem CID 23510607) has the molecular formula C5H11F and a molecular weight of 90.14 g/mol. Its IUPAC name is 1-fluoro-3-methylbutane.

Molecular Properties

Compound Name1-fluoro-3-methylbutane
PubChem CID23510607
Molecular FormulaC5H11F
Molecular Weight90.14 g/mol
Exact Mass90.08
IUPAC Name1-fluoro-3-methylbutane
SMILESCC(C)CCF
InChIInChI=1S/C5H11F/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
InChIKeyTVHQEXCGMKZBME-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.14
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-3-methylbutane 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 1-fluoro-3-methylbutane?
The IUPAC name of 1-fluoro-3-methylbutane (CID 23510607) is 1-fluoro-3-methylbutane.
What is the SMILES notation for 1-fluoro-3-methylbutane?
The canonical SMILES for 1-fluoro-3-methylbutane is CC(C)CCF.
What is the InChIKey of 1-fluoro-3-methylbutane?
The InChIKey is TVHQEXCGMKZBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F/c1-5(2)3-4-6/h5H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-3-methylbutane?
1-fluoro-3-methylbutane has a molecular weight of 90.14 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylbutane is sourced from PubChem (CID 23510607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).