1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine

C10H19F2NO2S — CID 176666245

IUPAC1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(S(=O)(=O)CC(F)F)CC1
InChIInChI=1S/C10H19F2NO2S/c1-8(2)9-3-5-13(6-4-9)16(14,15)7-10(11)12/h8-10H,3-7H2,1-2H3
InChIKeyYTCPHGRFHDCWQV-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.95
Rot. Bonds4

About 1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine

1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine (PubChem CID 176666245) has the molecular formula C10H19F2NO2S and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine
PubChem CID176666245
Molecular FormulaC10H19F2NO2S
Molecular Weight255.33 g/mol
Exact Mass255.11
IUPAC Name1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(S(=O)(=O)CC(F)F)CC1
InChIInChI=1S/C10H19F2NO2S/c1-8(2)9-3-5-13(6-4-9)16(14,15)7-10(11)12/h8-10H,3-7H2,1-2H3
InChIKeyYTCPHGRFHDCWQV-UHFFFAOYSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine (CID 176666245) is 1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(S(=O)(=O)CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine?
The InChIKey is YTCPHGRFHDCWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2S/c1-8(2)9-3-5-13(6-4-9)16(14,15)7-10(11)12/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine?
1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine has a molecular weight of 255.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylsulfonyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 176666245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).