[2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol

C10H10F4O2 — CID 58543652

IUPAC[2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol
SMILESCc1cc(C(O)(F)F)c(C(O)(F)F)cc1C
InChIInChI=1S/C10H10F4O2/c1-5-3-7(9(11,12)15)8(4-6(5)2)10(13,14)16/h3-4,15-16H,1-2H3
InChIKeyIKVUTQMQZOAMLH-UHFFFAOYSA-N
MW238.18 g/mol
LogP2.39
Rot. Bonds2

About [2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol

[2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol (PubChem CID 58543652) has the molecular formula C10H10F4O2 and a molecular weight of 238.18 g/mol. Its IUPAC name is [2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol.

Molecular Properties

Compound Name[2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol
PubChem CID58543652
Molecular FormulaC10H10F4O2
Molecular Weight238.18 g/mol
Exact Mass238.06
IUPAC Name[2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol
SMILESCc1cc(C(O)(F)F)c(C(O)(F)F)cc1C
InChIInChI=1S/C10H10F4O2/c1-5-3-7(9(11,12)15)8(4-6(5)2)10(13,14)16/h3-4,15-16H,1-2H3
InChIKeyIKVUTQMQZOAMLH-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol?
The IUPAC name of [2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol (CID 58543652) is [2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol.
What is the SMILES notation for [2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol?
The canonical SMILES for [2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol is Cc1cc(C(O)(F)F)c(C(O)(F)F)cc1C.
What is the InChIKey of [2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol?
The InChIKey is IKVUTQMQZOAMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O2/c1-5-3-7(9(11,12)15)8(4-6(5)2)10(13,14)16/h3-4,15-16H,1-2H3.
What are the key properties of [2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol?
[2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol has a molecular weight of 238.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol is sourced from PubChem (CID 58543652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).