1-(2,4,6-trifluorophenyl)butane-1,2,4-triol

C10H11F3O3 — CID 171872119

IUPAC1-(2,4,6-trifluorophenyl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H11F3O3/c11-5-3-6(12)9(7(13)4-5)10(16)8(15)1-2-14/h3-4,8,10,14-16H,1-2H2
InChIKeyRZTPYKMIQNWZPF-UHFFFAOYSA-N
MW236.19 g/mol
LogP0.88
Rot. Bonds4

About 1-(2,4,6-trifluorophenyl)butane-1,2,4-triol

1-(2,4,6-trifluorophenyl)butane-1,2,4-triol (PubChem CID 171872119) has the molecular formula C10H11F3O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1-(2,4,6-trifluorophenyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(2,4,6-trifluorophenyl)butane-1,2,4-triol
PubChem CID171872119
Molecular FormulaC10H11F3O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name1-(2,4,6-trifluorophenyl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H11F3O3/c11-5-3-6(12)9(7(13)4-5)10(16)8(15)1-2-14/h3-4,8,10,14-16H,1-2H2
InChIKeyRZTPYKMIQNWZPF-UHFFFAOYSA-N
XLogP0.88
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872259
1-(2,6-dichloro-4-fluorophenyl)butane-1,2,4-triol
CID 171872114
1-(2,4-dibromo-6-fluorophenyl)butane-1,2,4-triol
CID 171873416
4-amino-1-(4-amino-2,6-difluorophenyl)butane-1,2-diol
CID 171881338
1-(2,5-difluorophenyl)butane-1,2,4-triol
CID 171871871
1-(4-fluorophenyl)butane-1,2,4-triol
CID 171871723
1-(3,5-difluoro-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872261
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087293
1-(4-amino-2,6-difluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171874173
1-(3-chloro-5-fluoro-2-hydroxyphenyl)butane-1,2,4-triol
CID 171872255
1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087665
1-(3-amino-4-fluorophenyl)butane-1,2,4-triol
CID 171872014

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trifluorophenyl)butane-1,2,4-triol?
The IUPAC name of 1-(2,4,6-trifluorophenyl)butane-1,2,4-triol (CID 171872119) is 1-(2,4,6-trifluorophenyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(2,4,6-trifluorophenyl)butane-1,2,4-triol?
The canonical SMILES for 1-(2,4,6-trifluorophenyl)butane-1,2,4-triol is OCCC(O)C(O)c1c(F)cc(F)cc1F.
What is the InChIKey of 1-(2,4,6-trifluorophenyl)butane-1,2,4-triol?
The InChIKey is RZTPYKMIQNWZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O3/c11-5-3-6(12)9(7(13)4-5)10(16)8(15)1-2-14/h3-4,8,10,14-16H,1-2H2.
What are the key properties of 1-(2,4,6-trifluorophenyl)butane-1,2,4-triol?
1-(2,4,6-trifluorophenyl)butane-1,2,4-triol has a molecular weight of 236.19 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trifluorophenyl)butane-1,2,4-triol is sourced from PubChem (CID 171872119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).