2-(fluoromethylsulfanyl)butane

C5H11FS — CID 139914131

IUPAC2-(fluoromethylsulfanyl)butane
SMILESCCC(C)SCF
InChIInChI=1S/C5H11FS/c1-3-5(2)7-4-6/h5H,3-4H2,1-2H3
InChIKeyIZLUTMPSHKDJKN-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.45
Rot. Bonds3

About 2-(fluoromethylsulfanyl)butane

2-(fluoromethylsulfanyl)butane (PubChem CID 139914131) has the molecular formula C5H11FS and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-(fluoromethylsulfanyl)butane.

Molecular Properties

Compound Name2-(fluoromethylsulfanyl)butane
PubChem CID139914131
Molecular FormulaC5H11FS
Molecular Weight122.21 g/mol
Exact Mass122.06
IUPAC Name2-(fluoromethylsulfanyl)butane
SMILESCCC(C)SCF
InChIInChI=1S/C5H11FS/c1-3-5(2)7-4-6/h5H,3-4H2,1-2H3
InChIKeyIZLUTMPSHKDJKN-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(fluoromethylsulfanyl)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylsulfanylbutane
CID 521270
butan-2-ylsulfanylmethyl(trifluoro)boranuide
CID 63704711
potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide
CID 63704710
1-butan-2-ylsulfanylbutane
CID 525455
(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
(2S)-2-amino-3-[(2R)-butan-2-yl]sulfanylpropanoic acid
CID 28744671
1-butan-2-ylsulfanyl-3-methylbutan-2-amine
CID 65136124
2-but-2-enylsulfanylbutane
CID 72586716
2-(propylsulfanylmethylsulfanyl)butane
CID 525451
(2S)-2-propan-2-ylsulfanylbutane
CID 92859736
(2R)-2-hydroxysulfanylbutane
CID 142533001
2-butan-2-ylsulfanylselanylsulfanylbutane
CID 15832557

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylsulfanyl)butane?
The IUPAC name of 2-(fluoromethylsulfanyl)butane (CID 139914131) is 2-(fluoromethylsulfanyl)butane.
What is the SMILES notation for 2-(fluoromethylsulfanyl)butane?
The canonical SMILES for 2-(fluoromethylsulfanyl)butane is CCC(C)SCF.
What is the InChIKey of 2-(fluoromethylsulfanyl)butane?
The InChIKey is IZLUTMPSHKDJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FS/c1-3-5(2)7-4-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-(fluoromethylsulfanyl)butane?
2-(fluoromethylsulfanyl)butane has a molecular weight of 122.21 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylsulfanyl)butane is sourced from PubChem (CID 139914131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).