(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol

C8H8ClFO2 — CID 97286939

IUPAC(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
SMILESOC[C@@H](O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C8H8ClFO2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8,11-12H,4H2/t8-/m1/s1
InChIKeyZNGGAPYUQROFJC-MRVPVSSYSA-N
MW190.60 g/mol
LogP1.50
Rot. Bonds2

About (1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol

(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol (PubChem CID 97286939) has the molecular formula C8H8ClFO2 and a molecular weight of 190.60 g/mol. Its IUPAC name is (1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
PubChem CID97286939
Molecular FormulaC8H8ClFO2
Molecular Weight190.60 g/mol
Exact Mass190.02
IUPAC Name(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
SMILESOC[C@@H](O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C8H8ClFO2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8,11-12H,4H2/t8-/m1/s1
InChIKeyZNGGAPYUQROFJC-MRVPVSSYSA-N
XLogP1.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659
1-(3,4-difluorophenyl)ethane-1,2-diol
CID 71469386
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
(1S,2S)-2-amino-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 95933939
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
1-(4-chloro-3-fluorophenyl)butane-1,2,4-triol
CID 171871880
(1S,3S)-3-amino-1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237169
1-(3-bromo-4-fluorophenyl)ethane-1,2-diol
CID 70906663
2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol
CID 63895535
3-(4-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823555
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 138733242

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol?
The IUPAC name of (1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol (CID 97286939) is (1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol.
What is the SMILES notation for (1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol?
The canonical SMILES for (1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol is OC[C@@H](O)c1ccc(Cl)c(F)c1.
What is the InChIKey of (1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol?
The InChIKey is ZNGGAPYUQROFJC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H8ClFO2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8,11-12H,4H2/t8-/m1/s1.
What are the key properties of (1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol?
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol has a molecular weight of 190.60 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol is sourced from PubChem (CID 97286939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).