1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide

C8H17F2NO3S — CID 103833762

IUPAC1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)C(F)F
InChIInChI=1S/C8H17F2NO3S/c1-8(2,3)6(4-5-12)11-15(13,14)7(9)10/h6-7,11-12H,4-5H2,1-3H3
InChIKeyQRDRPGWHDAOFCR-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.93
Rot. Bonds5

About 1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide

1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide (PubChem CID 103833762) has the molecular formula C8H17F2NO3S and a molecular weight of 245.29 g/mol. Its IUPAC name is 1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide
PubChem CID103833762
Molecular FormulaC8H17F2NO3S
Molecular Weight245.29 g/mol
Exact Mass245.09
IUPAC Name1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)C(F)F
InChIInChI=1S/C8H17F2NO3S/c1-8(2,3)6(4-5-12)11-15(13,14)7(9)10/h6-7,11-12H,4-5H2,1-3H3
InChIKeyQRDRPGWHDAOFCR-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)methanesulfonamide
CID 61247389
1,1-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide
CID 103836135
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1-difluoromethanesulfonamide
CID 103844727
1,1-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide
CID 103896541
4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide
CID 103943146
1,1,1-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)methanesulfonamide
CID 106144045
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,1,1-trifluoromethanesulfonamide
CID 106253379
1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide
CID 106353432
4,4-Dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
CID 106353447
1,1,1-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide
CID 106353455
4,4,4-trifluoro-N-(1-hydroxypentan-3-yl)butane-1-sulfonamide
CID 113356072
4,4,4-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)butane-1-sulfonamide
CID 113356077

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide (CID 103833762) is 1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide is CC(C)(C)C(CCO)NS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide?
The InChIKey is QRDRPGWHDAOFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO3S/c1-8(2,3)6(4-5-12)11-15(13,14)7(9)10/h6-7,11-12H,4-5H2,1-3H3.
What are the key properties of 1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide?
1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide has a molecular weight of 245.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide is sourced from PubChem (CID 103833762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).