3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol

C10H12F2OS — CID 117311078

IUPAC3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol
SMILESCSc1cc(F)cc(CCCO)c1F
InChIInChI=1S/C10H12F2OS/c1-14-9-6-8(11)5-7(10(9)12)3-2-4-13/h5-6,13H,2-4H2,1H3
InChIKeyYMMLRRRDBHMJRB-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.61
Rot. Bonds4

About 3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol

3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol (PubChem CID 117311078) has the molecular formula C10H12F2OS and a molecular weight of 218.27 g/mol. Its IUPAC name is 3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol
PubChem CID117311078
Molecular FormulaC10H12F2OS
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol
SMILESCSc1cc(F)cc(CCCO)c1F
InChIInChI=1S/C10H12F2OS/c1-14-9-6-8(11)5-7(10(9)12)3-2-4-13/h5-6,13H,2-4H2,1H3
InChIKeyYMMLRRRDBHMJRB-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluoro-3-methylsulfanylphenyl)methanamine
CID 117281490
3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
CID 117353833
3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117311669
3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol
CID 117369472
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378649
3-(3-ethyl-5-fluorophenyl)propan-1-ol
CID 117279245
3-(2,5-difluoro-4-methylphenyl)propan-1-ol
CID 117280446
3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 117286425
3-(2-bromo-4-methylsulfanylphenyl)propan-1-ol
CID 154110714
3-(2,4-difluoro-3-methylphenyl)propan-1-ol
CID 66733705
3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol
CID 117337281
4-fluoro-2-(3-hydroxypropyl)benzamide
CID 86681537

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol (CID 117311078) is 3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol is CSc1cc(F)cc(CCCO)c1F.
What is the InChIKey of 3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol?
The InChIKey is YMMLRRRDBHMJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2OS/c1-14-9-6-8(11)5-7(10(9)12)3-2-4-13/h5-6,13H,2-4H2,1H3.
What are the key properties of 3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol?
3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol has a molecular weight of 218.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 117311078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).