[3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol

C10H18F3NO3S — CID 102786382

IUPAC[3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)CCCC(F)(F)F)C1CO
InChIInChI=1S/C10H18F3NO3S/c1-8-3-5-14(9(8)7-15)18(16,17)6-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyKCOUJFUUZUMZQB-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.36
Rot. Bonds5

About [3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol

[3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 102786382) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is [3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID102786382
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name[3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)CCCC(F)(F)F)C1CO
InChIInChI=1S/C10H18F3NO3S/c1-8-3-5-14(9(8)7-15)18(16,17)6-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyKCOUJFUUZUMZQB-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol
CID 176666071
[(2S,4R)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol
CID 176666262
[(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 75387077
[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 83058643
[(2R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 83059715
[(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 83059716
[3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102786088
[1-(Difluoromethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786537
[1-(3-Fluoropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 112406240
2-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115967735
(1-Ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol
CID 127002235
[(2S,4S)-1-ethylsulfonyl-4-fluoropyrrolidin-2-yl]methanol
CID 130610122

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol (CID 102786382) is [3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol is CC1CCN(S(=O)(=O)CCCC(F)(F)F)C1CO.
What is the InChIKey of [3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is KCOUJFUUZUMZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-8-3-5-14(9(8)7-15)18(16,17)6-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of [3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 289.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102786382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).