1,1-difluoro-3-(2-methylphenyl)propan-2-ol

C10H12F2O — CID 112699159

IUPAC1,1-difluoro-3-(2-methylphenyl)propan-2-ol
SMILESCc1ccccc1CC(O)C(F)F
InChIInChI=1S/C10H12F2O/c1-7-4-2-3-5-8(7)6-9(13)10(11)12/h2-5,9-10,13H,6H2,1H3
InChIKeyKKSGBZICDVVSJR-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.16
Rot. Bonds3

About 1,1-difluoro-3-(2-methylphenyl)propan-2-ol

1,1-difluoro-3-(2-methylphenyl)propan-2-ol (PubChem CID 112699159) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1,1-difluoro-3-(2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(2-methylphenyl)propan-2-ol
PubChem CID112699159
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1,1-difluoro-3-(2-methylphenyl)propan-2-ol
SMILESCc1ccccc1CC(O)C(F)F
InChIInChI=1S/C10H12F2O/c1-7-4-2-3-5-8(7)6-9(13)10(11)12/h2-5,9-10,13H,6H2,1H3
InChIKeyKKSGBZICDVVSJR-UHFFFAOYSA-N
XLogP2.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol
CID 112575476
3-(2-bromophenyl)-1,1-difluoropropan-2-ol
CID 112699172
3-ethoxy-1-(2-methylphenyl)butan-2-ol
CID 64541141
1-(3-bromo-2-fluoropropyl)-2-methylbenzene
CID 122239723
1,2-bis(2-methylphenyl)ethanol
CID 60798292
3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 105449373
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride
CID 42328007
1-(dimethylamino)-3-(2-methylphenyl)propan-2-ol
CID 79087104
4-methyl-1-(2-methylphenyl)pent-3-en-2-ol
CID 115817148

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(2-methylphenyl)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(2-methylphenyl)propan-2-ol (CID 112699159) is 1,1-difluoro-3-(2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(2-methylphenyl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(2-methylphenyl)propan-2-ol is Cc1ccccc1CC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(2-methylphenyl)propan-2-ol?
The InChIKey is KKSGBZICDVVSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-7-4-2-3-5-8(7)6-9(13)10(11)12/h2-5,9-10,13H,6H2,1H3.
What are the key properties of 1,1-difluoro-3-(2-methylphenyl)propan-2-ol?
1,1-difluoro-3-(2-methylphenyl)propan-2-ol has a molecular weight of 186.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(2-methylphenyl)propan-2-ol is sourced from PubChem (CID 112699159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).