1-fluoro-2-methylpentan-2-ol

C6H13FO — CID 19752039

IUPAC1-fluoro-2-methylpentan-2-ol
SMILESCCCC(C)(O)CF
InChIInChI=1S/C6H13FO/c1-3-4-6(2,8)5-7/h8H,3-5H2,1-2H3
InChIKeyMXXBYVFJPBVBHW-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.51
Rot. Bonds3

About 1-fluoro-2-methylpentan-2-ol

1-fluoro-2-methylpentan-2-ol (PubChem CID 19752039) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-fluoro-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-methylpentan-2-ol
PubChem CID19752039
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-fluoro-2-methylpentan-2-ol
SMILESCCCC(C)(O)CF
InChIInChI=1S/C6H13FO/c1-3-4-6(2,8)5-7/h8H,3-5H2,1-2H3
InChIKeyMXXBYVFJPBVBHW-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-2-methylpentan-2-ol 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-2-methylpentan-2-ol?
The IUPAC name of 1-fluoro-2-methylpentan-2-ol (CID 19752039) is 1-fluoro-2-methylpentan-2-ol.
What is the SMILES notation for 1-fluoro-2-methylpentan-2-ol?
The canonical SMILES for 1-fluoro-2-methylpentan-2-ol is CCCC(C)(O)CF.
What is the InChIKey of 1-fluoro-2-methylpentan-2-ol?
The InChIKey is MXXBYVFJPBVBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-3-4-6(2,8)5-7/h8H,3-5H2,1-2H3.
What are the key properties of 1-fluoro-2-methylpentan-2-ol?
1-fluoro-2-methylpentan-2-ol has a molecular weight of 120.17 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylpentan-2-ol is sourced from PubChem (CID 19752039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).