2-(fluoromethylsulfanyl)propane

C4H9FS — CID 90728756

IUPAC2-(fluoromethylsulfanyl)propane
SMILESCC(C)SCF
InChIInChI=1S/C4H9FS/c1-4(2)6-3-5/h4H,3H2,1-2H3
InChIKeyFHCPKVKIUQAQHG-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.06
Rot. Bonds2

About 2-(fluoromethylsulfanyl)propane

2-(fluoromethylsulfanyl)propane (PubChem CID 90728756) has the molecular formula C4H9FS and a molecular weight of 108.18 g/mol. Its IUPAC name is 2-(fluoromethylsulfanyl)propane.

Molecular Properties

Compound Name2-(fluoromethylsulfanyl)propane
PubChem CID90728756
Molecular FormulaC4H9FS
Molecular Weight108.18 g/mol
Exact Mass108.04
IUPAC Name2-(fluoromethylsulfanyl)propane
SMILESCC(C)SCF
InChIInChI=1S/C4H9FS/c1-4(2)6-3-5/h4H,3H2,1-2H3
InChIKeyFHCPKVKIUQAQHG-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Isopropyl Methyl Sulfide
CID 15246
4,4,4-Trifluorobutyl methyl sulfide
CID 89333965
Propan-2-yl fluoromethanedithioate
CID 101441302
Butane, 1-[(trifluoromethyl)thio]-
CID 544786
Trifluoromethyl isopropyl sulfide
CID 588919
2-Fluoro-3-methylsulfanylbutane
CID 13461361
Butyl fluoromethanedithioate
CID 134917051
2-(Fluoromethylsulfanyl)-2-methylpropane
CID 13440978
1-Fluoro-4-methylsulfanylbutane
CID 13897869
1-Ethylsulfanyl-2-fluoroethane
CID 20460047
2-(2,2,2-Trifluoroethylsulfanyl)propane
CID 21050234
1-Fluoro-3-methylsulfanylpropane
CID 53666964

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylsulfanyl)propane?
The IUPAC name of 2-(fluoromethylsulfanyl)propane (CID 90728756) is 2-(fluoromethylsulfanyl)propane.
What is the SMILES notation for 2-(fluoromethylsulfanyl)propane?
The canonical SMILES for 2-(fluoromethylsulfanyl)propane is CC(C)SCF.
What is the InChIKey of 2-(fluoromethylsulfanyl)propane?
The InChIKey is FHCPKVKIUQAQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FS/c1-4(2)6-3-5/h4H,3H2,1-2H3.
What are the key properties of 2-(fluoromethylsulfanyl)propane?
2-(fluoromethylsulfanyl)propane has a molecular weight of 108.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylsulfanyl)propane is sourced from PubChem (CID 90728756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).