2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol

C9H6Cl2F4O2 — CID 154117039

IUPAC2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol
SMILESOc1ccccc1C(O)(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C9H6Cl2F4O2/c10-8(12,13)7(17,9(11,14)15)5-3-1-2-4-6(5)16/h1-4,16-17H
InChIKeyNNWOXDQYSYMDNJ-UHFFFAOYSA-N
MW293.04 g/mol
LogP3.24
Rot. Bonds3

About 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol

2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol (PubChem CID 154117039) has the molecular formula C9H6Cl2F4O2 and a molecular weight of 293.04 g/mol. Its IUPAC name is 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol
PubChem CID154117039
Molecular FormulaC9H6Cl2F4O2
Molecular Weight293.04 g/mol
Exact Mass291.97
IUPAC Name2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol
SMILESOc1ccccc1C(O)(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C9H6Cl2F4O2/c10-8(12,13)7(17,9(11,14)15)5-3-1-2-4-6(5)16/h1-4,16-17H
InChIKeyNNWOXDQYSYMDNJ-UHFFFAOYSA-N
XLogP3.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.04
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro(difluoro)methyl]phenol
CID 19981781
2-(trifluoromethyl)phenol
CID 162212145
ethane;2-(trifluoromethyl)phenol
CID 142291947
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
1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 18352095
aminosulfanyl-(2-hydroxyphenyl)methanediol
CID 154431600
1-[2-[chloro(difluoro)methyl]-6-hydroxyphenyl]ethanone
CID 135039200
2-[bis(4-fluorophenyl)-hydroxymethyl]phenol
CID 53231393
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol?
The IUPAC name of 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol (CID 154117039) is 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol is Oc1ccccc1C(O)(C(F)(F)Cl)C(F)(F)Cl.
What is the InChIKey of 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol?
The InChIKey is NNWOXDQYSYMDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F4O2/c10-8(12,13)7(17,9(11,14)15)5-3-1-2-4-6(5)16/h1-4,16-17H.
What are the key properties of 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol?
2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol has a molecular weight of 293.04 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 154117039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).