1-fluoro-2-methylsulfanylpropane

C4H9FS — CID 87129560

IUPAC1-fluoro-2-methylsulfanylpropane
SMILESCSC(C)CF
InChIInChI=1S/C4H9FS/c1-4(3-5)6-2/h4H,3H2,1-2H3
InChIKeyCBVOTQOIBQVVDA-UHFFFAOYSA-N
MW108.18 g/mol
LogP1.71
Rot. Bonds2

About 1-fluoro-2-methylsulfanylpropane

1-fluoro-2-methylsulfanylpropane (PubChem CID 87129560) has the molecular formula C4H9FS and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-fluoro-2-methylsulfanylpropane.

Molecular Properties

Compound Name1-fluoro-2-methylsulfanylpropane
PubChem CID87129560
Molecular FormulaC4H9FS
Molecular Weight108.18 g/mol
Exact Mass108.04
IUPAC Name1-fluoro-2-methylsulfanylpropane
SMILESCSC(C)CF
InChIInChI=1S/C4H9FS/c1-4(3-5)6-2/h4H,3H2,1-2H3
InChIKeyCBVOTQOIBQVVDA-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylsulfanylpropane?
The IUPAC name of 1-fluoro-2-methylsulfanylpropane (CID 87129560) is 1-fluoro-2-methylsulfanylpropane.
What is the SMILES notation for 1-fluoro-2-methylsulfanylpropane?
The canonical SMILES for 1-fluoro-2-methylsulfanylpropane is CSC(C)CF.
What is the InChIKey of 1-fluoro-2-methylsulfanylpropane?
The InChIKey is CBVOTQOIBQVVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FS/c1-4(3-5)6-2/h4H,3H2,1-2H3.
What are the key properties of 1-fluoro-2-methylsulfanylpropane?
1-fluoro-2-methylsulfanylpropane has a molecular weight of 108.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylsulfanylpropane is sourced from PubChem (CID 87129560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).