2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride

C5H7ClF3NO2S — CID 66570522

IUPAC2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCCC1C(F)(F)F
InChIInChI=1S/C5H7ClF3NO2S/c6-13(11,12)10-3-1-2-4(10)5(7,8)9/h4H,1-3H2
InChIKeyVFJOXJIZMPYFSB-UHFFFAOYSA-N
MW237.63 g/mol
LogP1.50
Rot. Bonds1

About 2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride

2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride (PubChem CID 66570522) has the molecular formula C5H7ClF3NO2S and a molecular weight of 237.63 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride
PubChem CID66570522
Molecular FormulaC5H7ClF3NO2S
Molecular Weight237.63 g/mol
Exact Mass236.98
IUPAC Name2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCCC1C(F)(F)F
InChIInChI=1S/C5H7ClF3NO2S/c6-13(11,12)10-3-1-2-4(10)5(7,8)9/h4H,1-3H2
InChIKeyVFJOXJIZMPYFSB-UHFFFAOYSA-N
XLogP1.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride?
The IUPAC name of 2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride (CID 66570522) is 2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for 2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride?
The canonical SMILES for 2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCCC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride?
The InChIKey is VFJOXJIZMPYFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF3NO2S/c6-13(11,12)10-3-1-2-4(10)5(7,8)9/h4H,1-3H2.
What are the key properties of 2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride?
2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride has a molecular weight of 237.63 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 66570522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).