2,6-difluoro-4-methylphenol;prop-1-yne

C10H10F2O — CID 143527577

IUPAC2,6-difluoro-4-methylphenol;prop-1-yne
SMILESC#CC.Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C7H6F2O.C3H4/c1-4-2-5(8)7(10)6(9)3-4;1-3-2/h2-3,10H,1H3;1H,2H3
InChIKeyIXYNWPJJPWXLIP-UHFFFAOYSA-N
MW184.18 g/mol
LogP2.62
Rot. Bonds

About 2,6-difluoro-4-methylphenol;prop-1-yne

2,6-difluoro-4-methylphenol;prop-1-yne (PubChem CID 143527577) has the molecular formula C10H10F2O and a molecular weight of 184.18 g/mol. Its IUPAC name is 2,6-difluoro-4-methylphenol;prop-1-yne.

Molecular Properties

Compound Name2,6-difluoro-4-methylphenol;prop-1-yne
PubChem CID143527577
Molecular FormulaC10H10F2O
Molecular Weight184.18 g/mol
Exact Mass184.07
IUPAC Name2,6-difluoro-4-methylphenol;prop-1-yne
SMILESC#CC.Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C7H6F2O.C3H4/c1-4-2-5(8)7(10)6(9)3-4;1-3-2/h2-3,10H,1H3;1H,2H3
InChIKeyIXYNWPJJPWXLIP-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-4-methylphenol;prop-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
2-fluoro-6-(hydroxymethyl)-4-methylphenol
CID 84650325
methanol;2,4,6-trifluorophenol
CID 145053745
2-ethynyl-1-fluoro-3,5-dimethylbenzene
CID 106882406
ethane;3-fluoro-2,5-dimethylphenol
CID 142108626
2-fluoro-6-(3-hydroxypropyl)-4-methylphenol
CID 117279810
2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol
CID 131052800
3-(3-fluoro-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117325436
CID 144806033
CID 144806033
2,6-difluoro-4-methylbenzoate
CID 86307703
4-methylphenol;prop-1-yne
CID 158792009
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-methylphenol;prop-1-yne?
The IUPAC name of 2,6-difluoro-4-methylphenol;prop-1-yne (CID 143527577) is 2,6-difluoro-4-methylphenol;prop-1-yne.
What is the SMILES notation for 2,6-difluoro-4-methylphenol;prop-1-yne?
The canonical SMILES for 2,6-difluoro-4-methylphenol;prop-1-yne is C#CC.Cc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-methylphenol;prop-1-yne?
The InChIKey is IXYNWPJJPWXLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O.C3H4/c1-4-2-5(8)7(10)6(9)3-4;1-3-2/h2-3,10H,1H3;1H,2H3.
What are the key properties of 2,6-difluoro-4-methylphenol;prop-1-yne?
2,6-difluoro-4-methylphenol;prop-1-yne has a molecular weight of 184.18 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-methylphenol;prop-1-yne is sourced from PubChem (CID 143527577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).