3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine

C9H17F2NS — CID 155036689

IUPAC3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
SMILESCSC1CCN(C(C)C)CC1(F)F
InChIInChI=1S/C9H17F2NS/c1-7(2)12-5-4-8(13-3)9(10,11)6-12/h7-8H,4-6H2,1-3H3
InChIKeyGCUMQYSUCFWKAF-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.47
Rot. Bonds2

About 3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine

3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine (PubChem CID 155036689) has the molecular formula C9H17F2NS and a molecular weight of 209.30 g/mol. Its IUPAC name is 3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
PubChem CID155036689
Molecular FormulaC9H17F2NS
Molecular Weight209.30 g/mol
Exact Mass209.10
IUPAC Name3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
SMILESCSC1CCN(C(C)C)CC1(F)F
InChIInChI=1S/C9H17F2NS/c1-7(2)12-5-4-8(13-3)9(10,11)6-12/h7-8H,4-6H2,1-3H3
InChIKeyGCUMQYSUCFWKAF-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine?
The IUPAC name of 3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine (CID 155036689) is 3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine?
The canonical SMILES for 3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine is CSC1CCN(C(C)C)CC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine?
The InChIKey is GCUMQYSUCFWKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NS/c1-7(2)12-5-4-8(13-3)9(10,11)6-12/h7-8H,4-6H2,1-3H3.
What are the key properties of 3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine?
3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine has a molecular weight of 209.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 155036689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).