[(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol

C13H17F2NO3S — CID 71869039

IUPAC[(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(CN2CCC[C@H]2CO)cc1)C(F)F
InChIInChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-5-3-10(4-6-12)8-16-7-1-2-11(16)9-17/h3-6,11,13,17H,1-2,7-9H2/t11-/m0/s1
InChIKeyUGJFTPCZWOWNII-NSHDSACASA-N
MW305.35 g/mol
LogP1.64
Rot. Bonds5

About [(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 71869039) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is [(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID71869039
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name[(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(CN2CCC[C@H]2CO)cc1)C(F)F
InChIInChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-5-3-10(4-6-12)8-16-7-1-2-11(16)9-17/h3-6,11,13,17H,1-2,7-9H2/t11-/m0/s1
InChIKeyUGJFTPCZWOWNII-NSHDSACASA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol (CID 71869039) is [(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol is O=S(=O)(c1ccc(CN2CCC[C@H]2CO)cc1)C(F)F.
What is the InChIKey of [(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is UGJFTPCZWOWNII-NSHDSACASA-N. The full InChI is InChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-5-3-10(4-6-12)8-16-7-1-2-11(16)9-17/h3-6,11,13,17H,1-2,7-9H2/t11-/m0/s1.
What are the key properties of [(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 305.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 71869039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).