[3,5-difluoro-4-(trifluoromethyl)phenyl]methanol

C8H5F5O — CID 75539535

IUPAC[3,5-difluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C8H5F5O/c9-5-1-4(3-14)2-6(10)7(5)8(11,12)13/h1-2,14H,3H2
InChIKeyVRTWXMZDVDWKQB-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.48
Rot. Bonds1

About [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol

[3,5-difluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 75539535) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID75539535
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name[3,5-difluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C8H5F5O/c9-5-1-4(3-14)2-6(10)7(5)8(11,12)13/h1-2,14H,3H2
InChIKeyVRTWXMZDVDWKQB-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 [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol (CID 75539535) is [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol is OCc1cc(F)c(C(F)(F)F)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is VRTWXMZDVDWKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O/c9-5-1-4(3-14)2-6(10)7(5)8(11,12)13/h1-2,14H,3H2.
What are the key properties of [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol?
[3,5-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 [3,5-difluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 75539535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).