2-fluoro-3-methylsulfanylbutane

C5H11FS — CID 13461361

IUPAC2-fluoro-3-methylsulfanylbutane
SMILESCSC(C)C(C)F
InChIInChI=1S/C5H11FS/c1-4(6)5(2)7-3/h4-5H,1-3H3
InChIKeyXSCQYTZAUDBIKF-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.10
Rot. Bonds2

About 2-fluoro-3-methylsulfanylbutane

2-fluoro-3-methylsulfanylbutane (PubChem CID 13461361) has the molecular formula C5H11FS and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-fluoro-3-methylsulfanylbutane.

Molecular Properties

Compound Name2-fluoro-3-methylsulfanylbutane
PubChem CID13461361
Molecular FormulaC5H11FS
Molecular Weight122.21 g/mol
Exact Mass122.06
IUPAC Name2-fluoro-3-methylsulfanylbutane
SMILESCSC(C)C(C)F
InChIInChI=1S/C5H11FS/c1-4(6)5(2)7-3/h4-5H,1-3H3
InChIKeyXSCQYTZAUDBIKF-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylsulfanylbutane?
The IUPAC name of 2-fluoro-3-methylsulfanylbutane (CID 13461361) is 2-fluoro-3-methylsulfanylbutane.
What is the SMILES notation for 2-fluoro-3-methylsulfanylbutane?
The canonical SMILES for 2-fluoro-3-methylsulfanylbutane is CSC(C)C(C)F.
What is the InChIKey of 2-fluoro-3-methylsulfanylbutane?
The InChIKey is XSCQYTZAUDBIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FS/c1-4(6)5(2)7-3/h4-5H,1-3H3.
What are the key properties of 2-fluoro-3-methylsulfanylbutane?
2-fluoro-3-methylsulfanylbutane has a molecular weight of 122.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylsulfanylbutane is sourced from PubChem (CID 13461361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).