1-(difluoromethylsulfanyl)pyrrolidine

C5H9F2NS — CID 176666265

IUPAC1-(difluoromethylsulfanyl)pyrrolidine
SMILESFC(F)SN1CCCC1
InChIInChI=1S/C5H9F2NS/c6-5(7)9-8-3-1-2-4-8/h5H,1-4H2
InChIKeyMFFGRCDSAUJWNB-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.95
Rot. Bonds2

About 1-(difluoromethylsulfanyl)pyrrolidine

1-(difluoromethylsulfanyl)pyrrolidine (PubChem CID 176666265) has the molecular formula C5H9F2NS and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)pyrrolidine.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)pyrrolidine
PubChem CID176666265
Molecular FormulaC5H9F2NS
Molecular Weight153.20 g/mol
Exact Mass153.04
IUPAC Name1-(difluoromethylsulfanyl)pyrrolidine
SMILESFC(F)SN1CCCC1
InChIInChI=1S/C5H9F2NS/c6-5(7)9-8-3-1-2-4-8/h5H,1-4H2
InChIKeyMFFGRCDSAUJWNB-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,3-Difluoropyrrolidin-1-yl)methanethiol
CID 116991592
3-Fluoro-1-sulfanylpyrrolidine
CID 123394119
3,3-Difluoro-1-methylsulfanylpyrrolidine
CID 123776215
(3S)-3-fluoro-1-methylsulfanylpyrrolidine
CID 129168078
3,3-Difluoro-1-sulfanylpyrrolidine
CID 135158427
(3R)-3-fluoro-1-methylsulfanylpyrrolidine
CID 139353980
(3R)-3-fluoro-1-sulfanylpyrrolidine
CID 147419645
1-(3,3,3-Trifluoropropylsulfanyl)pyrrolidine
CID 155123252
3-Fluoro-1-methylsulfanylpyrrolidine
CID 155316052
S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine
CID 166169033
3,3,4,4-Tetrafluoro-1-methylsulfanylpyrrolidine
CID 169619145
3,3-Difluoro-1-methylpyrrolidine;methanethiol
CID 172627989

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfanyl)pyrrolidine?
The IUPAC name of 1-(difluoromethylsulfanyl)pyrrolidine (CID 176666265) is 1-(difluoromethylsulfanyl)pyrrolidine.
What is the SMILES notation for 1-(difluoromethylsulfanyl)pyrrolidine?
The canonical SMILES for 1-(difluoromethylsulfanyl)pyrrolidine is FC(F)SN1CCCC1.
What is the InChIKey of 1-(difluoromethylsulfanyl)pyrrolidine?
The InChIKey is MFFGRCDSAUJWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NS/c6-5(7)9-8-3-1-2-4-8/h5H,1-4H2.
What are the key properties of 1-(difluoromethylsulfanyl)pyrrolidine?
1-(difluoromethylsulfanyl)pyrrolidine has a molecular weight of 153.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)pyrrolidine is sourced from PubChem (CID 176666265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).