2,5-difluoro-4-(methylsulfanylmethyl)phenol

C8H8F2OS — CID 151928528

IUPAC2,5-difluoro-4-(methylsulfanylmethyl)phenol
SMILESCSCc1cc(F)c(O)cc1F
InChIInChI=1S/C8H8F2OS/c1-12-4-5-2-7(10)8(11)3-6(5)9/h2-3,11H,4H2,1H3
InChIKeySYHFJBPKKZSPIT-UHFFFAOYSA-N
MW190.21 g/mol
LogP2.53
Rot. Bonds2

About 2,5-difluoro-4-(methylsulfanylmethyl)phenol

2,5-difluoro-4-(methylsulfanylmethyl)phenol (PubChem CID 151928528) has the molecular formula C8H8F2OS and a molecular weight of 190.21 g/mol. Its IUPAC name is 2,5-difluoro-4-(methylsulfanylmethyl)phenol.

Molecular Properties

Compound Name2,5-difluoro-4-(methylsulfanylmethyl)phenol
PubChem CID151928528
Molecular FormulaC8H8F2OS
Molecular Weight190.21 g/mol
Exact Mass190.03
IUPAC Name2,5-difluoro-4-(methylsulfanylmethyl)phenol
SMILESCSCc1cc(F)c(O)cc1F
InChIInChI=1S/C8H8F2OS/c1-12-4-5-2-7(10)8(11)3-6(5)9/h2-3,11H,4H2,1H3
InChIKeySYHFJBPKKZSPIT-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
CID 91755192
3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307767
5-tert-butyl-3-(methylsulfanylmethyl)benzene-1,2-diol
CID 101177589
ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine
CID 143715565
2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane
CID 168939145
6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine
CID 135318111
3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid
CID 117290600
4-[(1R)-1-aminopropyl]-2,5-difluorophenol
CID 55274209
2-fluoro-4-[[hydroxy(methyl)amino]methyl]-5-methylphenol
CID 84769622
2,5-difluoro-4-(piperidin-4-ylmethyl)phenol
CID 117326872
1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene
CID 146626733
methyl 3-hydroxy-4-(methylsulfanylmethyl)benzoate
CID 13383875

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(methylsulfanylmethyl)phenol?
The IUPAC name of 2,5-difluoro-4-(methylsulfanylmethyl)phenol (CID 151928528) is 2,5-difluoro-4-(methylsulfanylmethyl)phenol.
What is the SMILES notation for 2,5-difluoro-4-(methylsulfanylmethyl)phenol?
The canonical SMILES for 2,5-difluoro-4-(methylsulfanylmethyl)phenol is CSCc1cc(F)c(O)cc1F.
What is the InChIKey of 2,5-difluoro-4-(methylsulfanylmethyl)phenol?
The InChIKey is SYHFJBPKKZSPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2OS/c1-12-4-5-2-7(10)8(11)3-6(5)9/h2-3,11H,4H2,1H3.
What are the key properties of 2,5-difluoro-4-(methylsulfanylmethyl)phenol?
2,5-difluoro-4-(methylsulfanylmethyl)phenol has a molecular weight of 190.21 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(methylsulfanylmethyl)phenol is sourced from PubChem (CID 151928528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).