2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol

C8H7ClF2O2 — CID 80605831

IUPAC2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol
SMILESOc1ccc(C(O)C(F)F)cc1Cl
InChIInChI=1S/C8H7ClF2O2/c9-5-3-4(1-2-6(5)12)7(13)8(10)11/h1-3,7-8,12-13H
InChIKeyGWTSBZKVDQJKBS-UHFFFAOYSA-N
MW208.59 g/mol
LogP2.34
Rot. Bonds2

About 2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol

2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol (PubChem CID 80605831) has the molecular formula C8H7ClF2O2 and a molecular weight of 208.59 g/mol. Its IUPAC name is 2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol
PubChem CID80605831
Molecular FormulaC8H7ClF2O2
Molecular Weight208.59 g/mol
Exact Mass208.01
IUPAC Name2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol
SMILESOc1ccc(C(O)C(F)F)cc1Cl
InChIInChI=1S/C8H7ClF2O2/c9-5-3-4(1-2-6(5)12)7(13)8(10)11/h1-3,7-8,12-13H
InChIKeyGWTSBZKVDQJKBS-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
CID 131030201
4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-chlorophenol
CID 171261786
2-chloro-4-(1-sulfanylethyl)phenol
CID 137430767
4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride
CID 171312952
4-(2,2-difluoro-1-hydroxyethyl)-2-phenylphenol
CID 166522785
methyl 3-(3-chloro-4-hydroxyphenyl)-3-hydroxy-2-methylpropanoate
CID 62394188
1-(3-chloro-4-hydroxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171889814
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
ethyl (2R,3R)-2-amino-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoate
CID 10957417
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol
CID 171261781
4-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]-2-chlorophenol
CID 171261794
methyl (2R,3R)-2-acetamido-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoate
CID 15484499

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol?
The IUPAC name of 2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol (CID 80605831) is 2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol.
What is the SMILES notation for 2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol?
The canonical SMILES for 2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol is Oc1ccc(C(O)C(F)F)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol?
The InChIKey is GWTSBZKVDQJKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O2/c9-5-3-4(1-2-6(5)12)7(13)8(10)11/h1-3,7-8,12-13H.
What are the key properties of 2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol?
2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol has a molecular weight of 208.59 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol is sourced from PubChem (CID 80605831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).