2-(3-fluorophenyl)-2-methylpropane-1,3-diol

C10H13FO2 — CID 79450508

IUPAC2-(3-fluorophenyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)c1cccc(F)c1
InChIInChI=1S/C10H13FO2/c1-10(6-12,7-13)8-3-2-4-9(11)5-8/h2-5,12-13H,6-7H2,1H3
InChIKeySCZQILONQSOYMD-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.07
Rot. Bonds3

About 2-(3-fluorophenyl)-2-methylpropane-1,3-diol

2-(3-fluorophenyl)-2-methylpropane-1,3-diol (PubChem CID 79450508) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-methylpropane-1,3-diol
PubChem CID79450508
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name2-(3-fluorophenyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)c1cccc(F)c1
InChIInChI=1S/C10H13FO2/c1-10(6-12,7-13)8-3-2-4-9(11)5-8/h2-5,12-13H,6-7H2,1H3
InChIKeySCZQILONQSOYMD-UHFFFAOYSA-N
XLogP1.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-fluorophenyl)pent-4-en-2-ol
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4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol
CID 115217984
3-[2-(3-fluorophenyl)-3-hydroxy-2-methylpropyl]-6-methyl-1H-benzimidazole-2-thione
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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(3-fluorophenyl)-2-methylpropane-1,3-diol (CID 79450508) is 2-(3-fluorophenyl)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(3-fluorophenyl)-2-methylpropane-1,3-diol is CC(CO)(CO)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-methylpropane-1,3-diol?
The InChIKey is SCZQILONQSOYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-10(6-12,7-13)8-3-2-4-9(11)5-8/h2-5,12-13H,6-7H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-methylpropane-1,3-diol?
2-(3-fluorophenyl)-2-methylpropane-1,3-diol has a molecular weight of 184.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 79450508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).