1-fluoro-1-(methyldisulfanyl)propane

C4H9FS2 — CID 167052607

IUPAC1-fluoro-1-(methyldisulfanyl)propane
SMILESCCC(F)SSC
InChIInChI=1S/C4H9FS2/c1-3-4(5)7-6-2/h4H,3H2,1-2H3
InChIKeyYBPKALPGEVSKFF-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.70
Rot. Bonds3

About 1-fluoro-1-(methyldisulfanyl)propane

1-fluoro-1-(methyldisulfanyl)propane (PubChem CID 167052607) has the molecular formula C4H9FS2 and a molecular weight of 140.25 g/mol. Its IUPAC name is 1-fluoro-1-(methyldisulfanyl)propane.

Molecular Properties

Compound Name1-fluoro-1-(methyldisulfanyl)propane
PubChem CID167052607
Molecular FormulaC4H9FS2
Molecular Weight140.25 g/mol
Exact Mass140.01
IUPAC Name1-fluoro-1-(methyldisulfanyl)propane
SMILESCCC(F)SSC
InChIInChI=1S/C4H9FS2/c1-3-4(5)7-6-2/h4H,3H2,1-2H3
InChIKeyYBPKALPGEVSKFF-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1,1-difluoro-4-methyl-3-(methyldisulfanyl)pentane
CID 166005111
1-fluoropropan-1-amine
CID 18761775
5-(methyldisulfanyl)hepta-1,3-diene
CID 123802058
2-(methyldisulfanyl)hexane
CID 118070757
1-chloro-1-fluoropropane;hydrofluoride
CID 174905950
1-fluoropropan-1-amine;hydrochloride
CID 173116737
(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
(3R)-1-fluoro-4-methyl-3-(methyldisulfanyl)pentane
CID 155048606
[ethylsulfanyl(fluoro)methyl]sulfanylethane
CID 139914135
1,1-difluoropropane;ethane;2-methylbutane
CID 176705110
3-ethyl-2-fluoropentane
CID 144624740
3-fluoro-2-methylpentane
CID 23234145

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(methyldisulfanyl)propane?
The IUPAC name of 1-fluoro-1-(methyldisulfanyl)propane (CID 167052607) is 1-fluoro-1-(methyldisulfanyl)propane.
What is the SMILES notation for 1-fluoro-1-(methyldisulfanyl)propane?
The canonical SMILES for 1-fluoro-1-(methyldisulfanyl)propane is CCC(F)SSC.
What is the InChIKey of 1-fluoro-1-(methyldisulfanyl)propane?
The InChIKey is YBPKALPGEVSKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FS2/c1-3-4(5)7-6-2/h4H,3H2,1-2H3.
What are the key properties of 1-fluoro-1-(methyldisulfanyl)propane?
1-fluoro-1-(methyldisulfanyl)propane has a molecular weight of 140.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(methyldisulfanyl)propane is sourced from PubChem (CID 167052607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).