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

C9H6F6O2 — CID 119014959

IUPAC3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol
SMILESOCc1cc(O)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H6F6O2/c10-8(11,12)6-2-5(17)1-4(3-16)7(6)9(13,14)15/h1-2,16-17H,3H2
InChIKeyULTRRBVVSBRGCL-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.92
Rot. Bonds1

About 3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol

3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol (PubChem CID 119014959) has the molecular formula C9H6F6O2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol
PubChem CID119014959
Molecular FormulaC9H6F6O2
Molecular Weight260.13 g/mol
Exact Mass260.03
IUPAC Name3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol
SMILESOCc1cc(O)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H6F6O2/c10-8(11,12)6-2-5(17)1-4(3-16)7(6)9(13,14)15/h1-2,16-17H,3H2
InChIKeyULTRRBVVSBRGCL-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

2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol
CID 84675777
[3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol
CID 134638824
5-(hydroxymethyl)-2,3-bis(trifluoromethyl)phenol
CID 134638839
5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol
CID 119015933
4-iodo-3,5-bis(trifluoromethyl)phenol
CID 134639186
2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol
CID 134638836
3-methyl-4-(2-methylbutan-2-yl)-5-(trifluoromethyl)phenol
CID 121384532
[2-amino-3,4-bis(trifluoromethyl)phenyl]methanol
CID 119023402
3-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,2-diol
CID 84675776
[2-amino-4,5-bis(trifluoromethyl)phenyl]methanol
CID 119022514
[2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol
CID 131300791
[3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol
CID 171016775

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol?
The IUPAC name of 3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol (CID 119014959) is 3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol.
What is the SMILES notation for 3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol?
The canonical SMILES for 3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol is OCc1cc(O)cc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol?
The InChIKey is ULTRRBVVSBRGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O2/c10-8(11,12)6-2-5(17)1-4(3-16)7(6)9(13,14)15/h1-2,16-17H,3H2.
What are the key properties of 3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol?
3-(hydroxymethyl)-4,5-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 3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol is sourced from PubChem (CID 119014959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).