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1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol

C11H12F2OS — CID 117332594

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
SMILESCSc1cc(F)c(CC2(O)CC2)cc1F
InChIInChI=1S/C11H12F2OS/c1-15-10-5-8(12)7(4-9(10)13)6-11(14)2-3-11/h4-5,14H,2-3,6H2,1H3
InChIKeyWEBQKOGAGFXNCY-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.75
Rot. Bonds3

About 1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol

1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117332594) has the molecular formula C11H12F2OS and a molecular weight of 230.28 g/mol. Its IUPAC name is 1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
PubChem CID117332594
Molecular FormulaC11H12F2OS
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
SMILESCSc1cc(F)c(CC2(O)CC2)cc1F
InChIInChI=1S/C11H12F2OS/c1-15-10-5-8(12)7(4-9(10)13)6-11(14)2-3-11/h4-5,14H,2-3,6H2,1H3
InChIKeyWEBQKOGAGFXNCY-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol (CID 117332594) is 1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol is CSc1cc(F)c(CC2(O)CC2)cc1F.
What is the InChIKey of 1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is WEBQKOGAGFXNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2OS/c1-15-10-5-8(12)7(4-9(10)13)6-11(14)2-3-11/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol?
1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 230.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117332594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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