1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine

C9H17F2NS — CID 166778105

IUPAC1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine
SMILESCCSC1CN(CC)CCC1(F)F
InChIInChI=1S/C9H17F2NS/c1-3-12-6-5-9(10,11)8(7-12)13-4-2/h8H,3-7H2,1-2H3
InChIKeyAVNWJPYGRVXXKY-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.47
Rot. Bonds3

About 1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine

1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine (PubChem CID 166778105) has the molecular formula C9H17F2NS and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine
PubChem CID166778105
Molecular FormulaC9H17F2NS
Molecular Weight209.30 g/mol
Exact Mass209.10
IUPAC Name1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine
SMILESCCSC1CN(CC)CCC1(F)F
InChIInChI=1S/C9H17F2NS/c1-3-12-6-5-9(10,11)8(7-12)13-4-2/h8H,3-7H2,1-2H3
InChIKeyAVNWJPYGRVXXKY-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine?
The IUPAC name of 1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine (CID 166778105) is 1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine.
What is the SMILES notation for 1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine?
The canonical SMILES for 1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine is CCSC1CN(CC)CCC1(F)F.
What is the InChIKey of 1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine?
The InChIKey is AVNWJPYGRVXXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NS/c1-3-12-6-5-9(10,11)8(7-12)13-4-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine?
1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine has a molecular weight of 209.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-ethylsulfanyl-4,4-difluoropiperidine is sourced from PubChem (CID 166778105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).