2-[chloro(difluoro)methyl]phenol

C7H5ClF2O — CID 19981781

IUPAC2-[chloro(difluoro)methyl]phenol
SMILESOc1ccccc1C(F)(F)Cl
InChIInChI=1S/C7H5ClF2O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H
InChIKeyPLUZRPYDXXLVRD-UHFFFAOYSA-N
MW178.56 g/mol
LogP2.68
Rot. Bonds1

About 2-[chloro(difluoro)methyl]phenol

2-[chloro(difluoro)methyl]phenol (PubChem CID 19981781) has the molecular formula C7H5ClF2O and a molecular weight of 178.56 g/mol. Its IUPAC name is 2-[chloro(difluoro)methyl]phenol.

Molecular Properties

Compound Name2-[chloro(difluoro)methyl]phenol
PubChem CID19981781
Molecular FormulaC7H5ClF2O
Molecular Weight178.56 g/mol
Exact Mass178.00
IUPAC Name2-[chloro(difluoro)methyl]phenol
SMILESOc1ccccc1C(F)(F)Cl
InChIInChI=1S/C7H5ClF2O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H
InChIKeyPLUZRPYDXXLVRD-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.56
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol
CID 154117039
2-(trifluoromethyl)phenol
CID 162212145
ethane;2-(trifluoromethyl)phenol
CID 142291947
1-[2-[chloro(difluoro)methyl]-6-hydroxyphenyl]ethanone
CID 135039200
2-(1,1-difluoro-2,2-dimethylpropyl)phenol
CID 83855896
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenol
CID 12871968
2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol
CID 84735412
2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid
CID 84736706
cyclopenta-1,3-diene;bis(2-(trifluoromethyl)phenol);zirconium
CID 154426888
CID 172777673
CID 172777673
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
2-[chloro(difluoro)methyl]benzenesulfinate
CID 170168984

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(difluoro)methyl]phenol?
The IUPAC name of 2-[chloro(difluoro)methyl]phenol (CID 19981781) is 2-[chloro(difluoro)methyl]phenol.
What is the SMILES notation for 2-[chloro(difluoro)methyl]phenol?
The canonical SMILES for 2-[chloro(difluoro)methyl]phenol is Oc1ccccc1C(F)(F)Cl.
What is the InChIKey of 2-[chloro(difluoro)methyl]phenol?
The InChIKey is PLUZRPYDXXLVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H.
What are the key properties of 2-[chloro(difluoro)methyl]phenol?
2-[chloro(difluoro)methyl]phenol has a molecular weight of 178.56 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(difluoro)methyl]phenol is sourced from PubChem (CID 19981781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).