4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride

C6H10ClF2NO2S — CID 165496948

IUPAC4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride
SMILESCC1CN(S(=O)(=O)Cl)CCC1(F)F
InChIInChI=1S/C6H10ClF2NO2S/c1-5-4-10(13(7,11)12)3-2-6(5,8)9/h5H,2-4H2,1H3
InChIKeyLFMCELUOESLPNL-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.45
Rot. Bonds1

About 4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride

4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride (PubChem CID 165496948) has the molecular formula C6H10ClF2NO2S and a molecular weight of 233.67 g/mol. Its IUPAC name is 4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride
PubChem CID165496948
Molecular FormulaC6H10ClF2NO2S
Molecular Weight233.67 g/mol
Exact Mass233.01
IUPAC Name4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride
SMILESCC1CN(S(=O)(=O)Cl)CCC1(F)F
InChIInChI=1S/C6H10ClF2NO2S/c1-5-4-10(13(7,11)12)3-2-6(5,8)9/h5H,2-4H2,1H3
InChIKeyLFMCELUOESLPNL-UHFFFAOYSA-N
XLogP1.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783
3-(4,4-difluoro-3-methylpiperidin-1-yl)propanoic acid
CID 130669966
4-(dimethylamino)-4-methylpiperidine-1-sulfonyl chloride
CID 165491287
2-propan-2-ylthiomorpholine-4-sulfonyl chloride
CID 165491191
1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one
CID 125143336
4,5-dichloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)pyrimidine
CID 146171975
4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine
CID 146171974
4-methoxypiperidine-1-sulfonyl chloride
CID 22276816
2-azaspiro[4.4]nonane-2-sulfonyl chloride
CID 130516395
[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129487614
3,3-difluoro-1,2-dimethylpyrrolidine
CID 90368643
3-(5,5-difluoro-3-methylazepan-1-yl)sulfonyl-N,N-dimethylpropane-1-sulfonamide
CID 166282386

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride?
The IUPAC name of 4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride (CID 165496948) is 4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride.
What is the SMILES notation for 4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride?
The canonical SMILES for 4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride is CC1CN(S(=O)(=O)Cl)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride?
The InChIKey is LFMCELUOESLPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2NO2S/c1-5-4-10(13(7,11)12)3-2-6(5,8)9/h5H,2-4H2,1H3.
What are the key properties of 4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride?
4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride has a molecular weight of 233.67 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylpiperidine-1-sulfonyl chloride is sourced from PubChem (CID 165496948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).