2-(3,5-dimethylphenyl)-2,2-difluoroethanol

C10H12F2O — CID 58543608

IUPAC2-(3,5-dimethylphenyl)-2,2-difluoroethanol
SMILESCc1cc(C)cc(C(F)(F)CO)c1
InChIInChI=1S/C10H12F2O/c1-7-3-8(2)5-9(4-7)10(11,12)6-13/h3-5,13H,6H2,1-2H3
InChIKeyGZFMBEQCNVUXDA-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.39
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-2,2-difluoroethanol

2-(3,5-dimethylphenyl)-2,2-difluoroethanol (PubChem CID 58543608) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-2,2-difluoroethanol
PubChem CID58543608
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name2-(3,5-dimethylphenyl)-2,2-difluoroethanol
SMILESCc1cc(C)cc(C(F)(F)CO)c1
InChIInChI=1S/C10H12F2O/c1-7-3-8(2)5-9(4-7)10(11,12)6-13/h3-5,13H,6H2,1-2H3
InChIKeyGZFMBEQCNVUXDA-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-2-(4-methylphenyl)ethanol;ethane
CID 143007917
(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
CID 130775708
1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene
CID 139607359
2-(6-chloro-4-methyl-2-pyridinyl)-2,2-difluoroethanol
CID 170640924
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol
CID 130135914
3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 63083089
1-bromo-2-(3,5-dimethylphenyl)-1,1-difluoropropan-2-ol
CID 107140313
2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine
CID 112565200
2-(3-chloro-5-methyl-2-pyridinyl)-2,2-difluoroethanol
CID 90379824
2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol
CID 130021958
2-(4-ethylphenyl)-2,2-difluoroethanol
CID 105425911

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-2,2-difluoroethanol?
The IUPAC name of 2-(3,5-dimethylphenyl)-2,2-difluoroethanol (CID 58543608) is 2-(3,5-dimethylphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-2,2-difluoroethanol is Cc1cc(C)cc(C(F)(F)CO)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-2,2-difluoroethanol?
The InChIKey is GZFMBEQCNVUXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-7-3-8(2)5-9(4-7)10(11,12)6-13/h3-5,13H,6H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-2,2-difluoroethanol?
2-(3,5-dimethylphenyl)-2,2-difluoroethanol has a molecular weight of 186.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-2,2-difluoroethanol is sourced from PubChem (CID 58543608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).