2-(2,4-difluorophenyl)propane-1,2-diol

C9H10F2O2 — CID 22107607

IUPAC2-(2,4-difluorophenyl)propane-1,2-diol
SMILESCC(O)(CO)c1ccc(F)cc1F
InChIInChI=1S/C9H10F2O2/c1-9(13,5-12)7-3-2-6(10)4-8(7)11/h2-4,12-13H,5H2,1H3
InChIKeyQMLUXQCUFDFMLY-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.16
Rot. Bonds2

About 2-(2,4-difluorophenyl)propane-1,2-diol

2-(2,4-difluorophenyl)propane-1,2-diol (PubChem CID 22107607) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)propane-1,2-diol
PubChem CID22107607
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name2-(2,4-difluorophenyl)propane-1,2-diol
SMILESCC(O)(CO)c1ccc(F)cc1F
InChIInChI=1S/C9H10F2O2/c1-9(13,5-12)7-3-2-6(10)4-8(7)11/h2-4,12-13H,5H2,1H3
InChIKeyQMLUXQCUFDFMLY-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
CID 54593269
4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol
CID 66001269
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529
ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate
CID 55071402
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol
CID 66002495
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
CID 111334411
1-tert-butyl-2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]guanidine
CID 111823785
1-cyclopropyl-1-(2,4-difluorophenyl)ethanol
CID 24749679
2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol
CID 70193274

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)propane-1,2-diol?
The IUPAC name of 2-(2,4-difluorophenyl)propane-1,2-diol (CID 22107607) is 2-(2,4-difluorophenyl)propane-1,2-diol.
What is the SMILES notation for 2-(2,4-difluorophenyl)propane-1,2-diol?
The canonical SMILES for 2-(2,4-difluorophenyl)propane-1,2-diol is CC(O)(CO)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)propane-1,2-diol?
The InChIKey is QMLUXQCUFDFMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-9(13,5-12)7-3-2-6(10)4-8(7)11/h2-4,12-13H,5H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)propane-1,2-diol?
2-(2,4-difluorophenyl)propane-1,2-diol has a molecular weight of 188.17 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)propane-1,2-diol is sourced from PubChem (CID 22107607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).