[2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol

C8H4F6O — CID 131300791

IUPAC[2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C8H4F6O/c9-4-1-3(2-15)6(10)7(11)5(4)8(12,13)14/h1,15H,2H2
InChIKeyUCSHFNINTQIWHS-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.62
Rot. Bonds1

About [2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol

[2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 131300791) has the molecular formula C8H4F6O and a molecular weight of 230.11 g/mol. Its IUPAC name is [2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID131300791
Molecular FormulaC8H4F6O
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name[2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C8H4F6O/c9-4-1-3(2-15)6(10)7(11)5(4)8(12,13)14/h1,15H,2H2
InChIKeyUCSHFNINTQIWHS-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol (CID 131300791) is [2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol is OCc1cc(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of [2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is UCSHFNINTQIWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6O/c9-4-1-3(2-15)6(10)7(11)5(4)8(12,13)14/h1,15H,2H2.
What are the key properties of [2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol?
[2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 230.11 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 131300791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).