4-(difluoromethyl)-2,3-dimethylphenol

C9H10F2O — CID 131214195

IUPAC4-(difluoromethyl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(C(F)F)c1C
InChIInChI=1S/C9H10F2O/c1-5-6(2)8(12)4-3-7(5)9(10)11/h3-4,9,12H,1-2H3
InChIKeyVPVFSGLYZRTONB-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.95
Rot. Bonds1

About 4-(difluoromethyl)-2,3-dimethylphenol

4-(difluoromethyl)-2,3-dimethylphenol (PubChem CID 131214195) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,3-dimethylphenol.

Molecular Properties

Compound Name4-(difluoromethyl)-2,3-dimethylphenol
PubChem CID131214195
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name4-(difluoromethyl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(C(F)F)c1C
InChIInChI=1S/C9H10F2O/c1-5-6(2)8(12)4-3-7(5)9(10)11/h3-4,9,12H,1-2H3
InChIKeyVPVFSGLYZRTONB-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-aminoethyl)-2,3-dimethylphenol
CID 82266494
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
3-chloro-1-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776741
2-(difluoromethyl)phenol
CID 21386914
ethyl 4-(difluoromethyl)-2-hydroxy-3-methylbenzoate
CID 118496136
1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
2-(difluoromethyl)-1-methylnaphthalene;ethane
CID 142518689
4-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2,3-dimethylphenol;hydrobromide
CID 66856119
2-methylbenzene-1,3-diol
CID 139200813
4-[(E)-2-(4-hydroxy-2,3-dimethylphenyl)ethenyl]-2,3-dimethylphenol
CID 19890115
4-[(1R)-1-aminopropyl]-2-methylbenzene-1,3-diol
CID 131118575

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,3-dimethylphenol?
The IUPAC name of 4-(difluoromethyl)-2,3-dimethylphenol (CID 131214195) is 4-(difluoromethyl)-2,3-dimethylphenol.
What is the SMILES notation for 4-(difluoromethyl)-2,3-dimethylphenol?
The canonical SMILES for 4-(difluoromethyl)-2,3-dimethylphenol is Cc1c(O)ccc(C(F)F)c1C.
What is the InChIKey of 4-(difluoromethyl)-2,3-dimethylphenol?
The InChIKey is VPVFSGLYZRTONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-5-6(2)8(12)4-3-7(5)9(10)11/h3-4,9,12H,1-2H3.
What are the key properties of 4-(difluoromethyl)-2,3-dimethylphenol?
4-(difluoromethyl)-2,3-dimethylphenol has a molecular weight of 172.17 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,3-dimethylphenol is sourced from PubChem (CID 131214195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).