propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate

C14H24F3NO4S — CID 144798197

IUPACpropan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC[C@@H]1CCCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C14H24F3NO4S/c1-11(2)22-13(19)18-8-3-5-12(18)6-4-9-23(20,21)10-7-14(15,16)17/h11-12H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyJYFSJEZSSKIMBR-GFCCVEGCSA-N
MW359.41 g/mol
LogP3.14
Rot. Bonds7

About propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate

propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate (PubChem CID 144798197) has the molecular formula C14H24F3NO4S and a molecular weight of 359.41 g/mol. Its IUPAC name is propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate
PubChem CID144798197
Molecular FormulaC14H24F3NO4S
Molecular Weight359.41 g/mol
Exact Mass359.14
IUPAC Namepropan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC[C@@H]1CCCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C14H24F3NO4S/c1-11(2)22-13(19)18-8-3-5-12(18)6-4-9-23(20,21)10-7-14(15,16)17/h11-12H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyJYFSJEZSSKIMBR-GFCCVEGCSA-N
XLogP3.14
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]pyrrolidine-1-carboxylate
CID 123819636
ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 143059682
propan-2-yl 2-methylpyrrolidine-1-carboxylate
CID 58164988
2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate
CID 62734845
tert-butyl 2-[3-(2,3,4,5,6-pentafluorophenoxy)sulfonylpropyl]pyrrolidine-1-carboxylate;ethane
CID 143985763
propan-2-yl 2-(trifluoromethyl)azepane-1-carboxylate
CID 177327456
2-methylbutan-2-yl 2-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]pyrrolidine-1-carboxylate
CID 123205887
tert-butyl (2S)-2-[(12S)-12-hydroxytridecyl]pyrrolidine-1-carboxylate
CID 11068638
2-methylpropyl (2R)-2-(5-methylhexyl)pyrrolidine-1-carboxylate
CID 58462647
tert-butyl 2-[2-(1-ethylsulfonylpropan-2-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244540
tert-butyl 2-(3-chloropropyl)pyrrolidine-1-carboxylate
CID 114293374
1-[2-(2-bromopropyl)piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 112748544

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate (CID 144798197) is propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate is CC(C)OC(=O)N1CCC[C@@H]1CCCS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate?
The InChIKey is JYFSJEZSSKIMBR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24F3NO4S/c1-11(2)22-13(19)18-8-3-5-12(18)6-4-9-23(20,21)10-7-14(15,16)17/h11-12H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate?
propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate has a molecular weight of 359.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-[3-(3,3,3-trifluoropropylsulfonyl)propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 144798197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).