5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol

C13H27FO4 — CID 155277799

IUPAC5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol
SMILESCC(C)CC(F)(CO)COCC(C)CC(O)CO
InChIInChI=1S/C13H27FO4/c1-10(2)5-13(14,8-16)9-18-7-11(3)4-12(17)6-15/h10-12,15-17H,4-9H2,1-3H3
InChIKeyDYBXKRYZSXWGRA-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.13
Rot. Bonds10

About 5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol

5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol (PubChem CID 155277799) has the molecular formula C13H27FO4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol.

Molecular Properties

Compound Name5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol
PubChem CID155277799
Molecular FormulaC13H27FO4
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol
SMILESCC(C)CC(F)(CO)COCC(C)CC(O)CO
InChIInChI=1S/C13H27FO4/c1-10(2)5-13(14,8-16)9-18-7-11(3)4-12(17)6-15/h10-12,15-17H,4-9H2,1-3H3
InChIKeyDYBXKRYZSXWGRA-UHFFFAOYSA-N
XLogP1.13
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol 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 5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol?
The IUPAC name of 5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol (CID 155277799) is 5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol.
What is the SMILES notation for 5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol?
The canonical SMILES for 5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol is CC(C)CC(F)(CO)COCC(C)CC(O)CO.
What is the InChIKey of 5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol?
The InChIKey is DYBXKRYZSXWGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FO4/c1-10(2)5-13(14,8-16)9-18-7-11(3)4-12(17)6-15/h10-12,15-17H,4-9H2,1-3H3.
What are the key properties of 5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol?
5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol has a molecular weight of 266.35 g/mol, XLogP of 1.13, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-2-(hydroxymethyl)-4-methylpentoxy]-4-methylpentane-1,2-diol is sourced from PubChem (CID 155277799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).