(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol

C14H12ClFOS — CID 78952064

IUPAC(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFOS/c1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12/h2-9,17H,1H3/t9-/m1/s1
InChIKeyMODFXDNISGQZFG-SECBINFHSA-N
MW282.77 g/mol
LogP4.68
Rot. Bonds3

About (1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol

(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol (PubChem CID 78952064) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is (1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
PubChem CID78952064
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFOS/c1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12/h2-9,17H,1H3/t9-/m1/s1
InChIKeyMODFXDNISGQZFG-SECBINFHSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 63813093
1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 43286131
(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
CID 104971602
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
CID 82973110
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
(1S)-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanol
CID 63835113
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739
(1S)-1-[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethanol
CID 107762049
(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol (CID 78952064) is (1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol is C[C@@H](O)c1cc(F)ccc1Sc1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol?
The InChIKey is MODFXDNISGQZFG-SECBINFHSA-N. The full InChI is InChI=1S/C14H12ClFOS/c1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12/h2-9,17H,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol?
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol has a molecular weight of 282.77 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol is sourced from PubChem (CID 78952064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).