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

C11H12F2O3S — CID 117409978

IUPAC1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
SMILESCS(=O)(=O)c1cc(F)c(CC2(O)CC2)cc1F
InChIInChI=1S/C11H12F2O3S/c1-17(15,16)10-5-8(12)7(4-9(10)13)6-11(14)2-3-11/h4-5,14H,2-3,6H2,1H3
InChIKeyJRPNEICVBXRTOF-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.44
Rot. Bonds3

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

1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117409978) has the molecular formula C11H12F2O3S and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
PubChem CID117409978
Molecular FormulaC11H12F2O3S
Molecular Weight262.28 g/mol
Exact Mass262.05
IUPAC Name1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
SMILESCS(=O)(=O)c1cc(F)c(CC2(O)CC2)cc1F
InChIInChI=1S/C11H12F2O3S/c1-17(15,16)10-5-8(12)7(4-9(10)13)6-11(14)2-3-11/h4-5,14H,2-3,6H2,1H3
InChIKeyJRPNEICVBXRTOF-UHFFFAOYSA-N
XLogP1.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409977
1-[(2,6-difluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409974
2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol
CID 117404537
N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117346067
1-[(2,5-difluoro-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117332594
2-(2,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341939
2,5-difluoro-4-[(1-hydroxycyclopropyl)methyl]benzoic acid
CID 117328274
1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine
CID 117412591
2-[1-(2,5-difluoro-4-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117468856
1-[(4-methylsulfanyl-3-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117434012
4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol
CID 117340042
1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol
CID 117332255

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol (CID 117409978) is 1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol is CS(=O)(=O)c1cc(F)c(CC2(O)CC2)cc1F.
What is the InChIKey of 1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is JRPNEICVBXRTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3S/c1-17(15,16)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-methylsulfonylphenyl)methyl]cyclopropan-1-ol?
1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 262.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117409978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).