[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol

C14H10F4O — CID 70852511

IUPAC[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol
SMILESCc1ccc(-c2cc(F)c(C(O)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H10F4O/c1-8-2-4-9(5-3-8)10-6-11(15)13(12(16)7-10)14(17,18)19/h2-7,19H,1H3
InChIKeyKVSVECVTFKNRIT-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.98
Rot. Bonds2

About [2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol

[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol (PubChem CID 70852511) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is [2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol.

Molecular Properties

Compound Name[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol
PubChem CID70852511
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol
SMILESCc1ccc(-c2cc(F)c(C(O)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H10F4O/c1-8-2-4-9(5-3-8)10-6-11(15)13(12(16)7-10)14(17,18)19/h2-7,19H,1H3
InChIKeyKVSVECVTFKNRIT-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol?
The IUPAC name of [2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol (CID 70852511) is [2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol.
What is the SMILES notation for [2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol?
The canonical SMILES for [2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol is Cc1ccc(-c2cc(F)c(C(O)(F)F)c(F)c2)cc1.
What is the InChIKey of [2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol?
The InChIKey is KVSVECVTFKNRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c1-8-2-4-9(5-3-8)10-6-11(15)13(12(16)7-10)14(17,18)19/h2-7,19H,1H3.
What are the key properties of [2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol?
[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol has a molecular weight of 270.23 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol is sourced from PubChem (CID 70852511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).