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

C12H17FO2 — CID 103457269

IUPAC1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
SMILESCC(C)(C)C(O)C(O)c1ccccc1F
InChIInChI=1S/C12H17FO2/c1-12(2,3)11(15)10(14)8-6-4-5-7-9(8)13/h4-7,10-11,14-15H,1-3H3
InChIKeyFXVCRQGPMYHNEI-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.27
Rot. Bonds2

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

1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol (PubChem CID 103457269) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
PubChem CID103457269
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
SMILESCC(C)(C)C(O)C(O)c1ccccc1F
InChIInChI=1S/C12H17FO2/c1-12(2,3)11(15)10(14)8-6-4-5-7-9(8)13/h4-7,10-11,14-15H,1-3H3
InChIKeyFXVCRQGPMYHNEI-UHFFFAOYSA-N
XLogP2.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
1-(4-chloro-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 103457370
1-(3-bromo-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 106645237
bis(2-fluorophenyl)methanol
CID 18424663
1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552
1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457274
(1S,2R)-1-amino-1-(3-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-ol
CID 171267756
1-(2-fluorophenyl)-2-methoxy-2-methylpropan-1-ol
CID 79198458
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
1-(4-fluoro-2-methylphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457195
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol?
The IUPAC name of 1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol (CID 103457269) is 1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol.
What is the SMILES notation for 1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol?
The canonical SMILES for 1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol is CC(C)(C)C(O)C(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol?
The InChIKey is FXVCRQGPMYHNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-12(2,3)11(15)10(14)8-6-4-5-7-9(8)13/h4-7,10-11,14-15H,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol?
1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol has a molecular weight of 212.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol is sourced from PubChem (CID 103457269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).