3,3-difluoro-1-sulfanylpiperidine

C5H9F2NS — CID 123259993

IUPAC3,3-difluoro-1-sulfanylpiperidine
SMILESFC1(F)CCCN(S)C1
InChIInChI=1S/C5H9F2NS/c6-5(7)2-1-3-8(9)4-5/h9H,1-4H2
InChIKeyLICNUQAHFXORGP-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.56
Rot. Bonds

About 3,3-difluoro-1-sulfanylpiperidine

3,3-difluoro-1-sulfanylpiperidine (PubChem CID 123259993) has the molecular formula C5H9F2NS and a molecular weight of 153.20 g/mol. Its IUPAC name is 3,3-difluoro-1-sulfanylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-1-sulfanylpiperidine
PubChem CID123259993
Molecular FormulaC5H9F2NS
Molecular Weight153.20 g/mol
Exact Mass153.04
IUPAC Name3,3-difluoro-1-sulfanylpiperidine
SMILESFC1(F)CCCN(S)C1
InChIInChI=1S/C5H9F2NS/c6-5(7)2-1-3-8(9)4-5/h9H,1-4H2
InChIKeyLICNUQAHFXORGP-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4,4-Difluoro-1-methylpiperidine
CID 23394529
4,4-Difluoropiperidine-1-sulfonyl chloride
CID 53256750
1-Piperidinyl-trifluorosulfur
CID 9877503
1-(Trifluoromethyl)piperidine
CID 13147751
Trifluoropiperidine
CID 19879593
3,3-Difluoro-1-methylpiperidine
CID 23394528
1-Mercapto-piperidine
CID 12237649
1-(2,2,2-Trifluoroethyl)piperidine
CID 17840004
1-(1,2,2-Trifluoroethyl)piperidine
CID 18457685
CID 19879592
CID 19879592
Difluoro(piperidin-1-yl)sulfanium
CID 21732497
1,2-Difluoropiperidine
CID 54230812

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-sulfanylpiperidine?
The IUPAC name of 3,3-difluoro-1-sulfanylpiperidine (CID 123259993) is 3,3-difluoro-1-sulfanylpiperidine.
What is the SMILES notation for 3,3-difluoro-1-sulfanylpiperidine?
The canonical SMILES for 3,3-difluoro-1-sulfanylpiperidine is FC1(F)CCCN(S)C1.
What is the InChIKey of 3,3-difluoro-1-sulfanylpiperidine?
The InChIKey is LICNUQAHFXORGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NS/c6-5(7)2-1-3-8(9)4-5/h9H,1-4H2.
What are the key properties of 3,3-difluoro-1-sulfanylpiperidine?
3,3-difluoro-1-sulfanylpiperidine has a molecular weight of 153.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-sulfanylpiperidine is sourced from PubChem (CID 123259993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).