2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol

C12H16F2O3S — CID 63562518

IUPAC2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol
SMILESCCC(O)C(C)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H16F2O3S/c1-3-10(15)8(2)9-6-4-5-7-11(9)18(16,17)12(13)14/h4-8,10,12,15H,3H2,1-2H3
InChIKeyUMJDNOQNTLUWFV-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol

2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol (PubChem CID 63562518) has the molecular formula C12H16F2O3S and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol
PubChem CID63562518
Molecular FormulaC12H16F2O3S
Molecular Weight278.32 g/mol
Exact Mass278.08
IUPAC Name2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol
SMILESCCC(O)C(C)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H16F2O3S/c1-3-10(15)8(2)9-6-4-5-7-11(9)18(16,17)12(13)14/h4-8,10,12,15H,3H2,1-2H3
InChIKeyUMJDNOQNTLUWFV-UHFFFAOYSA-N
XLogP2.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(difluoromethylsulfonyl)phenyl]-N-ethylbutan-2-amine
CID 63199560
1-(2-chloropentan-3-yl)-2-(difluoromethylsulfonyl)benzene
CID 63205183
3-[2-(difluoromethylsulfonyl)phenyl]butan-2-amine
CID 63198213
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
2-(benzenesulfonyl)pentan-3-ol
CID 62918399
2-fluoro-2-(2-propan-2-ylsulfonylphenyl)acetic acid
CID 105425444
3-(2-methylsulfonylphenyl)pentan-2-ol
CID 63201177
1-(4-chlorobutan-2-ylsulfonyl)-2-(difluoromethylsulfonyl)benzene
CID 66137230
3-[2-(difluoromethylsulfonyl)phenyl]sulfanyl-2-methylpropan-1-ol
CID 66104428
2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide
CID 133282320
3-[2-(difluoromethylsulfonyl)anilino]-2,2-dimethylpropanoic acid
CID 115427654
2-[2-(difluoromethylsulfonyl)-N-propan-2-ylanilino]acetic acid
CID 60830041

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol?
The IUPAC name of 2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol (CID 63562518) is 2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol.
What is the SMILES notation for 2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol?
The canonical SMILES for 2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol is CCC(O)C(C)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol?
The InChIKey is UMJDNOQNTLUWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O3S/c1-3-10(15)8(2)9-6-4-5-7-11(9)18(16,17)12(13)14/h4-8,10,12,15H,3H2,1-2H3.
What are the key properties of 2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol?
2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol has a molecular weight of 278.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol is sourced from PubChem (CID 63562518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).