methanol;2,4,6-trifluorophenol

C7H7F3O2 — CID 145053745

IUPACmethanol;2,4,6-trifluorophenol
SMILESCO.Oc1c(F)cc(F)cc1F
InChIInChI=1S/C6H3F3O.CH4O/c7-3-1-4(8)6(10)5(9)2-3;1-2/h1-2,10H;2H,1H3
InChIKeyPEPAQGLTJBZAGS-UHFFFAOYSA-N
MW180.12 g/mol
LogP1.42
Rot. Bonds

About methanol;2,4,6-trifluorophenol

methanol;2,4,6-trifluorophenol (PubChem CID 145053745) has the molecular formula C7H7F3O2 and a molecular weight of 180.12 g/mol. Its IUPAC name is methanol;2,4,6-trifluorophenol.

Molecular Properties

Compound Namemethanol;2,4,6-trifluorophenol
PubChem CID145053745
Molecular FormulaC7H7F3O2
Molecular Weight180.12 g/mol
Exact Mass180.04
IUPAC Namemethanol;2,4,6-trifluorophenol
SMILESCO.Oc1c(F)cc(F)cc1F
InChIInChI=1S/C6H3F3O.CH4O/c7-3-1-4(8)6(10)5(9)2-3;1-2/h1-2,10H;2H,1H3
InChIKeyPEPAQGLTJBZAGS-UHFFFAOYSA-N
XLogP1.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 87618773
CID 87618773
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
CID 89344187
CID 89344187
CID 90226342
CID 90226342
2-[(1S)-1-aminoethyl]-4,6-difluorophenol
CID 55255860
2-[(1R)-1-aminoethyl]-4,6-difluorophenol
CID 130688365
3,5-difluoro-2-methylphenol
CID 20580699
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol
CID 130730137
3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide
CID 146619442
2,3,5-trifluorophenol
CID 2733311
2-[(1R,3R)-3-amino-2,2-dimethylcyclopropyl]-4,6-difluorophenol
CID 178197487
2-[3-(dimethylamino)propyl]-4,6-difluorophenol
CID 170865567

Frequently Asked Questions

What is the IUPAC name of methanol;2,4,6-trifluorophenol?
The IUPAC name of methanol;2,4,6-trifluorophenol (CID 145053745) is methanol;2,4,6-trifluorophenol.
What is the SMILES notation for methanol;2,4,6-trifluorophenol?
The canonical SMILES for methanol;2,4,6-trifluorophenol is CO.Oc1c(F)cc(F)cc1F.
What is the InChIKey of methanol;2,4,6-trifluorophenol?
The InChIKey is PEPAQGLTJBZAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3O.CH4O/c7-3-1-4(8)6(10)5(9)2-3;1-2/h1-2,10H;2H,1H3.
What are the key properties of methanol;2,4,6-trifluorophenol?
methanol;2,4,6-trifluorophenol has a molecular weight of 180.12 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2,4,6-trifluorophenol is sourced from PubChem (CID 145053745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).