1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol

C13H24F2O3 — CID 142330917

IUPAC1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol
SMILESCC(O)C(F)C1COC(C(F)C(C)O)C(C)C1C
InChIInChI=1S/C13H24F2O3/c1-6-7(2)13(12(15)9(4)17)18-5-10(6)11(14)8(3)16/h6-13,16-17H,5H2,1-4H3
InChIKeyVIYQXIWQKJTUOM-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.71
Rot. Bonds4

About 1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol

1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol (PubChem CID 142330917) has the molecular formula C13H24F2O3 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol
PubChem CID142330917
Molecular FormulaC13H24F2O3
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Name1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol
SMILESCC(O)C(F)C1COC(C(F)C(C)O)C(C)C1C
InChIInChI=1S/C13H24F2O3/c1-6-7(2)13(12(15)9(4)17)18-5-10(6)11(14)8(3)16/h6-13,16-17H,5H2,1-4H3
InChIKeyVIYQXIWQKJTUOM-UHFFFAOYSA-N
XLogP1.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-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

Related Compounds

Tetrahydro-4-methyl-2-(2-methylpropyl)-2H-pyran-4-ol
CID 3017432
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4R)-
CID 12104426
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2S,4S)-
CID 12104424
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4S)-
CID 12104425
3-Butyl-5-methyloxan-4-ol
CID 85799495
(2-(Propan-2-yl)oxan-4-yl)methanol
CID 65919175
3-(5,6-Dimethyloxan-2-yl)propan-1-ol
CID 134834799
3-Butyl-4-hydroxytetrahydropyran
CID 90995016
cis-3-Butyltetrahydro-2h-pyran-4-ol
CID 134159604
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2S,4R)-
CID 12104423
2-Ethyl-6-fluoro-3,5-dimethyloxan-4-ol
CID 58676498
(2S,3R,4R,5S,6S)-2-tert-butyl-6-(fluoromethyl)-4-methyloxane-3,5-diol
CID 59065124

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol?
The IUPAC name of 1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol (CID 142330917) is 1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol.
What is the SMILES notation for 1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol?
The canonical SMILES for 1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol is CC(O)C(F)C1COC(C(F)C(C)O)C(C)C1C.
What is the InChIKey of 1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol?
The InChIKey is VIYQXIWQKJTUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O3/c1-6-7(2)13(12(15)9(4)17)18-5-10(6)11(14)8(3)16/h6-13,16-17H,5H2,1-4H3.
What are the key properties of 1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol?
1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol has a molecular weight of 266.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol is sourced from PubChem (CID 142330917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).