5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol

C9H6F6O2 — CID 119015933

IUPAC5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol
SMILESOCc1cc(O)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H6F6O2/c10-8(11,12)5-2-6(9(13,14)15)7(17)1-4(5)3-16/h1-2,16-17H,3H2
InChIKeyPXIJOXNTHGDYPM-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.92
Rot. Bonds1

About 5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol

5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol (PubChem CID 119015933) has the molecular formula C9H6F6O2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol
PubChem CID119015933
Molecular FormulaC9H6F6O2
Molecular Weight260.13 g/mol
Exact Mass260.03
IUPAC Name5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol
SMILESOCc1cc(O)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H6F6O2/c10-8(11,12)5-2-6(9(13,14)15)7(17)1-4(5)3-16/h1-2,16-17H,3H2
InChIKeyPXIJOXNTHGDYPM-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2,5-bis(trifluoromethyl)phenol
CID 135742857
2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol
CID 84675777
2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol
CID 134638836
5-sulfanyl-2,4-bis(trifluoromethyl)phenol
CID 119023774
5-bromo-2,4-bis(trifluoromethyl)phenol
CID 119013784
4-(hydroxymethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 118997715
3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol
CID 119014959
6-(hydroxymethyl)-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 139819993
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
[4,6-bis(trifluoromethyl)-3-pyridinyl]methanol
CID 131282987
[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118704338
3-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,2-diol
CID 84675776

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol?
The IUPAC name of 5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol (CID 119015933) is 5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol.
What is the SMILES notation for 5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol?
The canonical SMILES for 5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol is OCc1cc(O)c(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol?
The InChIKey is PXIJOXNTHGDYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O2/c10-8(11,12)5-2-6(9(13,14)15)7(17)1-4(5)3-16/h1-2,16-17H,3H2.
What are the key properties of 5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol?
5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol has a molecular weight of 260.13 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol is sourced from PubChem (CID 119015933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).