3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride

C9H15ClF3NO2S — CID 112594737

IUPAC3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H15ClF3NO2S/c10-17(15,16)7-1-4-14-5-2-8(3-6-14)9(11,12)13/h8H,1-7H2
InChIKeyMVAIOUUCEIXYAT-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.22
Rot. Bonds4

About 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride

3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride (PubChem CID 112594737) has the molecular formula C9H15ClF3NO2S and a molecular weight of 293.74 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride
PubChem CID112594737
Molecular FormulaC9H15ClF3NO2S
Molecular Weight293.74 g/mol
Exact Mass293.05
IUPAC Name3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H15ClF3NO2S/c10-17(15,16)7-1-4-14-5-2-8(3-6-14)9(11,12)13/h8H,1-7H2
InChIKeyMVAIOUUCEIXYAT-UHFFFAOYSA-N
XLogP2.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
4-Methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59862750
4-Propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59921674
4-Methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 71114479
4-Methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine
CID 88854828
(3R,4R)-3,4-dimethyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 117884544
1-(3,3,3-Trifluoropropyl)piperidine-4-sulfinate
CID 123767622
2-(4-Methylpiperidin-1-yl)ethanesulfonyl fluoride
CID 126755742
1-Tert-butylsulfonyl-4-(trifluoromethyl)piperidine
CID 126758875
4-(Difluoromethyl)-1-ethylsulfinylpiperidine
CID 139502638
1-(1,1-Difluoroethylsulfonyl)-4-methylpiperidine
CID 155038200
4,4-Difluoro-1-(3-methylbutylsulfonyl)piperidine
CID 156050302

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride?
The IUPAC name of 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride (CID 112594737) is 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride.
What is the SMILES notation for 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride?
The canonical SMILES for 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride is O=S(=O)(Cl)CCCN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride?
The InChIKey is MVAIOUUCEIXYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO2S/c10-17(15,16)7-1-4-14-5-2-8(3-6-14)9(11,12)13/h8H,1-7H2.
What are the key properties of 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride?
3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride has a molecular weight of 293.74 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride is sourced from PubChem (CID 112594737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).