(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol

C14H11F3OS — CID 63814899

IUPAC(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1Sc1ccc(F)cc1F
InChIInChI=1S/C14H11F3OS/c1-8(18)14-10(16)3-2-4-13(14)19-12-6-5-9(15)7-11(12)17/h2-8,18H,1H3/t8-/m1/s1
InChIKeySSZVXEDBNAFSBR-MRVPVSSYSA-N
MW284.30 g/mol
LogP4.31
Rot. Bonds3

About (1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol

(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol (PubChem CID 63814899) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is (1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
PubChem CID63814899
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1Sc1ccc(F)cc1F
InChIInChI=1S/C14H11F3OS/c1-8(18)14-10(16)3-2-4-13(14)19-12-6-5-9(15)7-11(12)17/h2-8,18H,1H3/t8-/m1/s1
InChIKeySSZVXEDBNAFSBR-MRVPVSSYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
(1R)-1-[2-(2,5-dichlorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63813226
1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63812916
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 55239481
(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol
CID 78952014
2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522536
(1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 55239486
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol (CID 63814899) is (1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol is C[C@@H](O)c1c(F)cccc1Sc1ccc(F)cc1F.
What is the InChIKey of (1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol?
The InChIKey is SSZVXEDBNAFSBR-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11F3OS/c1-8(18)14-10(16)3-2-4-13(14)19-12-6-5-9(15)7-11(12)17/h2-8,18H,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol?
(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol has a molecular weight of 284.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol is sourced from PubChem (CID 63814899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).