1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol

C14H11F3OS — CID 60980220

IUPAC1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol
SMILESOC(CSc1ccc(F)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H11F3OS/c15-9-1-4-11(5-2-9)19-8-14(18)12-7-10(16)3-6-13(12)17/h1-7,14,18H,8H2
InChIKeyOUIQLAVBFCYRRN-UHFFFAOYSA-N
MW284.30 g/mol
LogP3.93
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol

1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol (PubChem CID 60980220) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol
PubChem CID60980220
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol
SMILESOC(CSc1ccc(F)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H11F3OS/c15-9-1-4-11(5-2-9)19-8-14(18)12-7-10(16)3-6-13(12)17/h1-7,14,18H,8H2
InChIKeyOUIQLAVBFCYRRN-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol
CID 79742279
1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
CID 65141877
N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide
CID 110885178
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66148548
1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol
CID 114200459
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
CID 66071789
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol (CID 60980220) is 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol is OC(CSc1ccc(F)cc1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol?
The InChIKey is OUIQLAVBFCYRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c15-9-1-4-11(5-2-9)19-8-14(18)12-7-10(16)3-6-13(12)17/h1-7,14,18H,8H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol?
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol has a molecular weight of 284.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 60980220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).