[5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride

C12H17ClF3NO3S — CID 168673604

IUPAC[5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17ClF3NO3S/c13-21(19,20)7-8-5-11(18)17(6-8)10-3-1-9(2-4-10)12(14,15)16/h8-10H,1-7H2
InChIKeyRFMPFASYMQXTRR-UHFFFAOYSA-N
MW347.79 g/mol
LogP2.52
Rot. Bonds3

About [5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride

[5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673604) has the molecular formula C12H17ClF3NO3S and a molecular weight of 347.79 g/mol. Its IUPAC name is [5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673604
Molecular FormulaC12H17ClF3NO3S
Molecular Weight347.79 g/mol
Exact Mass347.06
IUPAC Name[5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17ClF3NO3S/c13-21(19,20)7-8-5-11(18)17(6-8)10-3-1-9(2-4-10)12(14,15)16/h8-10H,1-7H2
InChIKeyRFMPFASYMQXTRR-UHFFFAOYSA-N
XLogP2.52
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.79
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride (CID 168673604) is [5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1C1CCC(C(F)(F)F)CC1.
What is the InChIKey of [5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is RFMPFASYMQXTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3NO3S/c13-21(19,20)7-8-5-11(18)17(6-8)10-3-1-9(2-4-10)12(14,15)16/h8-10H,1-7H2.
What are the key properties of [5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride?
[5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 347.79 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).