3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol

C11H14F2O — CID 165499575

IUPAC3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)C(F)c1ccccc1F
InChIInChI=1S/C11H14F2O/c1-11(2,7-14)10(13)8-5-3-4-6-9(8)12/h3-6,10,14H,7H2,1-2H3
InChIKeyLUGWYOKYBQZXFI-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.85
Rot. Bonds3

About 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol

3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol (PubChem CID 165499575) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol
PubChem CID165499575
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)C(F)c1ccccc1F
InChIInChI=1S/C11H14F2O/c1-11(2,7-14)10(13)8-5-3-4-6-9(8)12/h3-6,10,14H,7H2,1-2H3
InChIKeyLUGWYOKYBQZXFI-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204
1-fluoro-1-(2-fluorophenyl)-2-methylpropan-2-amine
CID 83853539
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluorophenol;hydrochloride
CID 171245849
(3S)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241172
(3R)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247890
2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid
CID 105478777
1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933473
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
1-(2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 103457269
1-fluoro-1-(2-fluorophenyl)propan-2-ol
CID 105435040
1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552
2-(2-fluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 116852360

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol (CID 165499575) is 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol is CC(C)(CO)C(F)c1ccccc1F.
What is the InChIKey of 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is LUGWYOKYBQZXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-11(2,7-14)10(13)8-5-3-4-6-9(8)12/h3-6,10,14H,7H2,1-2H3.
What are the key properties of 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol?
3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 200.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 165499575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).