2-fluoro-3-phenylmethoxypropane-1,1,3-triol

C10H13FO4 — CID 71187743

IUPAC2-fluoro-3-phenylmethoxypropane-1,1,3-triol
SMILESOC(O)C(F)C(O)OCc1ccccc1
InChIInChI=1S/C10H13FO4/c11-8(9(12)13)10(14)15-6-7-4-2-1-3-5-7/h1-5,8-10,12-14H,6H2
InChIKeyWIOWWUVFXXVZEB-UHFFFAOYSA-N
MW216.21 g/mol
LogP0.17
Rot. Bonds5

About 2-fluoro-3-phenylmethoxypropane-1,1,3-triol

2-fluoro-3-phenylmethoxypropane-1,1,3-triol (PubChem CID 71187743) has the molecular formula C10H13FO4 and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-fluoro-3-phenylmethoxypropane-1,1,3-triol.

Molecular Properties

Compound Name2-fluoro-3-phenylmethoxypropane-1,1,3-triol
PubChem CID71187743
Molecular FormulaC10H13FO4
Molecular Weight216.21 g/mol
Exact Mass216.08
IUPAC Name2-fluoro-3-phenylmethoxypropane-1,1,3-triol
SMILESOC(O)C(F)C(O)OCc1ccccc1
InChIInChI=1S/C10H13FO4/c11-8(9(12)13)10(14)15-6-7-4-2-1-3-5-7/h1-5,8-10,12-14H,6H2
InChIKeyWIOWWUVFXXVZEB-UHFFFAOYSA-N
XLogP0.17
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-fluoro-3-phenylmethoxypropane-1,1,3-triol 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

(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
(2R,3S)-1-phenylmethoxybutane-1,2,3,4-tetrol
CID 69033542
(1S)-2-amino-1-phenylmethoxyethanol
CID 153447781
benzyl 3-hydroxy-2-methyl-3-phenylmethoxypropanoate
CID 167055654
fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol
CID 142400351
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethane-1,2-diol
CID 54327458
(2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol
CID 15965591
1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
4-fluoro-1,1,5-tris(phenylmethoxy)pentan-3-ol
CID 19925874
3-fluoro-1,5,5-tris(phenylmethoxy)pentan-2-ol
CID 19925871

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-phenylmethoxypropane-1,1,3-triol?
The IUPAC name of 2-fluoro-3-phenylmethoxypropane-1,1,3-triol (CID 71187743) is 2-fluoro-3-phenylmethoxypropane-1,1,3-triol.
What is the SMILES notation for 2-fluoro-3-phenylmethoxypropane-1,1,3-triol?
The canonical SMILES for 2-fluoro-3-phenylmethoxypropane-1,1,3-triol is OC(O)C(F)C(O)OCc1ccccc1.
What is the InChIKey of 2-fluoro-3-phenylmethoxypropane-1,1,3-triol?
The InChIKey is WIOWWUVFXXVZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO4/c11-8(9(12)13)10(14)15-6-7-4-2-1-3-5-7/h1-5,8-10,12-14H,6H2.
What are the key properties of 2-fluoro-3-phenylmethoxypropane-1,1,3-triol?
2-fluoro-3-phenylmethoxypropane-1,1,3-triol has a molecular weight of 216.21 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-phenylmethoxypropane-1,1,3-triol is sourced from PubChem (CID 71187743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).