(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol

C14H11F3OS — CID 63812972

IUPAC(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(Sc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C14H11F3OS/c1-8(18)9-2-4-13(11(16)6-9)19-14-5-3-10(15)7-12(14)17/h2-8,18H,1H3/t8-/m0/s1
InChIKeyFGBFOHUKHBFHAY-QMMMGPOBSA-N
MW284.30 g/mol
LogP4.31
Rot. Bonds3

About (1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol

(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol (PubChem CID 63812972) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is (1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
PubChem CID63812972
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(Sc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C14H11F3OS/c1-8(18)9-2-4-13(11(16)6-9)19-14-5-3-10(15)7-12(14)17/h2-8,18H,1H3/t8-/m0/s1
InChIKeyFGBFOHUKHBFHAY-QMMMGPOBSA-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

(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63814899
1-[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63813564
1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
CID 43286578
(1S)-1-[4-(3,4-dimethylphenyl)sulfanyl-3-fluorophenyl]ethanol
CID 55240041
(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370213
(1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol
CID 78952025
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951660
(1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 63812644
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol
CID 63835439
(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 55184274
(1R)-1-[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 113431911

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol (CID 63812972) is (1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol is C[C@H](O)c1ccc(Sc2ccc(F)cc2F)c(F)c1.
What is the InChIKey of (1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol?
The InChIKey is FGBFOHUKHBFHAY-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H11F3OS/c1-8(18)9-2-4-13(11(16)6-9)19-14-5-3-10(15)7-12(14)17/h2-8,18H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol?
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-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 (1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol is sourced from PubChem (CID 63812972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).