(2,5-difluoro-3-methylsulfanylphenyl)methanol

C8H8F2OS — CID 117281798

IUPAC(2,5-difluoro-3-methylsulfanylphenyl)methanol
SMILESCSc1cc(F)cc(CO)c1F
InChIInChI=1S/C8H8F2OS/c1-12-7-3-6(9)2-5(4-11)8(7)10/h2-3,11H,4H2,1H3
InChIKeyNUVSPZQINJXVKH-UHFFFAOYSA-N
MW190.21 g/mol
LogP2.18
Rot. Bonds2

About (2,5-difluoro-3-methylsulfanylphenyl)methanol

(2,5-difluoro-3-methylsulfanylphenyl)methanol (PubChem CID 117281798) has the molecular formula C8H8F2OS and a molecular weight of 190.21 g/mol. Its IUPAC name is (2,5-difluoro-3-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2,5-difluoro-3-methylsulfanylphenyl)methanol
PubChem CID117281798
Molecular FormulaC8H8F2OS
Molecular Weight190.21 g/mol
Exact Mass190.03
IUPAC Name(2,5-difluoro-3-methylsulfanylphenyl)methanol
SMILESCSc1cc(F)cc(CO)c1F
InChIInChI=1S/C8H8F2OS/c1-12-7-3-6(9)2-5(4-11)8(7)10/h2-3,11H,4H2,1H3
InChIKeyNUVSPZQINJXVKH-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluoro-3-methylsulfanylphenyl)methanol?
The IUPAC name of (2,5-difluoro-3-methylsulfanylphenyl)methanol (CID 117281798) is (2,5-difluoro-3-methylsulfanylphenyl)methanol.
What is the SMILES notation for (2,5-difluoro-3-methylsulfanylphenyl)methanol?
The canonical SMILES for (2,5-difluoro-3-methylsulfanylphenyl)methanol is CSc1cc(F)cc(CO)c1F.
What is the InChIKey of (2,5-difluoro-3-methylsulfanylphenyl)methanol?
The InChIKey is NUVSPZQINJXVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2OS/c1-12-7-3-6(9)2-5(4-11)8(7)10/h2-3,11H,4H2,1H3.
What are the key properties of (2,5-difluoro-3-methylsulfanylphenyl)methanol?
(2,5-difluoro-3-methylsulfanylphenyl)methanol has a molecular weight of 190.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluoro-3-methylsulfanylphenyl)methanol is sourced from PubChem (CID 117281798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).