[2,6-difluoro-4-(trifluoromethyl)phenyl]methanol

C8H5F5O — CID 75525786

IUPAC[2,6-difluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOCc1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C8H5F5O/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2,14H,3H2
InChIKeyIWZJMMRHZHBIBS-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.48
Rot. Bonds1

About [2,6-difluoro-4-(trifluoromethyl)phenyl]methanol

[2,6-difluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 75525786) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is [2,6-difluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,6-difluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID75525786
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name[2,6-difluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOCc1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C8H5F5O/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2,14H,3H2
InChIKeyIWZJMMRHZHBIBS-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 52.48
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-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2,6-difluoro-4-(trifluoromethyl)phenyl]methanol (CID 75525786) is [2,6-difluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2,6-difluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2,6-difluoro-4-(trifluoromethyl)phenyl]methanol is OCc1c(F)cc(C(F)(F)F)cc1F.
What is the InChIKey of [2,6-difluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is IWZJMMRHZHBIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2,14H,3H2.
What are the key properties of [2,6-difluoro-4-(trifluoromethyl)phenyl]methanol?
[2,6-difluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 212.12 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 75525786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).