2-(2,4-difluorophenyl)propane-1,2,3-triol

C9H10F2O3 — CID 11217952

IUPAC2-(2,4-difluorophenyl)propane-1,2,3-triol
SMILESOCC(O)(CO)c1ccc(F)cc1F
InChIInChI=1S/C9H10F2O3/c10-6-1-2-7(8(11)3-6)9(14,4-12)5-13/h1-3,12-14H,4-5H2
InChIKeyZHVKNFSTIAMHSM-UHFFFAOYSA-N
MW204.17 g/mol
LogP0.14
Rot. Bonds3

About 2-(2,4-difluorophenyl)propane-1,2,3-triol

2-(2,4-difluorophenyl)propane-1,2,3-triol (PubChem CID 11217952) has the molecular formula C9H10F2O3 and a molecular weight of 204.17 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)propane-1,2,3-triol
PubChem CID11217952
Molecular FormulaC9H10F2O3
Molecular Weight204.17 g/mol
Exact Mass204.06
IUPAC Name2-(2,4-difluorophenyl)propane-1,2,3-triol
SMILESOCC(O)(CO)c1ccc(F)cc1F
InChIInChI=1S/C9H10F2O3/c10-6-1-2-7(8(11)3-6)9(14,4-12)5-13/h1-3,12-14H,4-5H2
InChIKeyZHVKNFSTIAMHSM-UHFFFAOYSA-N
XLogP0.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-2-propanol
CID 12053
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
1-Phenyl-1,2-ethanediol
CID 7149
1-Phenylethanol, (R)-
CID 637516
1-Phenylethanol, (S)-
CID 443135
1,2-Benzenedimethanol
CID 69153
Hydrobenzoin
CID 95447
2,3-Difluorobenzyl Alcohol
CID 447153
2,4-Difluorobenzyl alcohol
CID 91867
(R,R)-Hydrobenzoin
CID 853019

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)propane-1,2,3-triol?
The IUPAC name of 2-(2,4-difluorophenyl)propane-1,2,3-triol (CID 11217952) is 2-(2,4-difluorophenyl)propane-1,2,3-triol.
What is the SMILES notation for 2-(2,4-difluorophenyl)propane-1,2,3-triol?
The canonical SMILES for 2-(2,4-difluorophenyl)propane-1,2,3-triol is OCC(O)(CO)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)propane-1,2,3-triol?
The InChIKey is ZHVKNFSTIAMHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O3/c10-6-1-2-7(8(11)3-6)9(14,4-12)5-13/h1-3,12-14H,4-5H2.
What are the key properties of 2-(2,4-difluorophenyl)propane-1,2,3-triol?
2-(2,4-difluorophenyl)propane-1,2,3-triol has a molecular weight of 204.17 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)propane-1,2,3-triol is sourced from PubChem (CID 11217952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).