2,2-difluoro-2-(4-methylphenyl)ethanol;ethane

C11H16F2O — CID 143007917

IUPAC2,2-difluoro-2-(4-methylphenyl)ethanol;ethane
SMILESCC.Cc1ccc(C(F)(F)CO)cc1
InChIInChI=1S/C9H10F2O.C2H6/c1-7-2-4-8(5-3-7)9(10,11)6-12;1-2/h2-5,12H,6H2,1H3;1-2H3
InChIKeyXTNVUJKTEVFAKI-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.11
Rot. Bonds2

About 2,2-difluoro-2-(4-methylphenyl)ethanol;ethane

2,2-difluoro-2-(4-methylphenyl)ethanol;ethane (PubChem CID 143007917) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-methylphenyl)ethanol;ethane.

Molecular Properties

Compound Name2,2-difluoro-2-(4-methylphenyl)ethanol;ethane
PubChem CID143007917
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name2,2-difluoro-2-(4-methylphenyl)ethanol;ethane
SMILESCC.Cc1ccc(C(F)(F)CO)cc1
InChIInChI=1S/C9H10F2O.C2H6/c1-7-2-4-8(5-3-7)9(10,11)6-12;1-2/h2-5,12H,6H2,1H3;1-2H3
InChIKeyXTNVUJKTEVFAKI-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylphenyl)-2,2-difluoroethanol
CID 105425911
2-(3,5-dimethylphenyl)-2,2-difluoroethanol
CID 58543608
2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol
CID 130135914
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide
CID 142387183
4,4,4-trifluoro-3-(4-methylphenyl)-3-(trifluoromethyl)butan-1-ol
CID 166880651
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
toluene;2,2,2-trifluoroethanol
CID 67743203
4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol
CID 102471163
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol
CID 146201622

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-methylphenyl)ethanol;ethane?
The IUPAC name of 2,2-difluoro-2-(4-methylphenyl)ethanol;ethane (CID 143007917) is 2,2-difluoro-2-(4-methylphenyl)ethanol;ethane.
What is the SMILES notation for 2,2-difluoro-2-(4-methylphenyl)ethanol;ethane?
The canonical SMILES for 2,2-difluoro-2-(4-methylphenyl)ethanol;ethane is CC.Cc1ccc(C(F)(F)CO)cc1.
What is the InChIKey of 2,2-difluoro-2-(4-methylphenyl)ethanol;ethane?
The InChIKey is XTNVUJKTEVFAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O.C2H6/c1-7-2-4-8(5-3-7)9(10,11)6-12;1-2/h2-5,12H,6H2,1H3;1-2H3.
What are the key properties of 2,2-difluoro-2-(4-methylphenyl)ethanol;ethane?
2,2-difluoro-2-(4-methylphenyl)ethanol;ethane has a molecular weight of 202.24 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-methylphenyl)ethanol;ethane is sourced from PubChem (CID 143007917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).