1-fluorobutane-1-sulfinyl chloride

C4H8ClFOS — CID 155434403

IUPAC1-fluorobutane-1-sulfinyl chloride
SMILESCCCC(F)S(=O)Cl
InChIInChI=1S/C4H8ClFOS/c1-2-3-4(6)8(5)7/h4H,2-3H2,1H3
InChIKeyBMDXENWQUGKFIA-UHFFFAOYSA-N
MW158.62 g/mol
LogP1.98
Rot. Bonds3

About 1-fluorobutane-1-sulfinyl chloride

1-fluorobutane-1-sulfinyl chloride (PubChem CID 155434403) has the molecular formula C4H8ClFOS and a molecular weight of 158.62 g/mol. Its IUPAC name is 1-fluorobutane-1-sulfinyl chloride.

Molecular Properties

Compound Name1-fluorobutane-1-sulfinyl chloride
PubChem CID155434403
Molecular FormulaC4H8ClFOS
Molecular Weight158.62 g/mol
Exact Mass158.00
IUPAC Name1-fluorobutane-1-sulfinyl chloride
SMILESCCCC(F)S(=O)Cl
InChIInChI=1S/C4H8ClFOS/c1-2-3-4(6)8(5)7/h4H,2-3H2,1H3
InChIKeyBMDXENWQUGKFIA-UHFFFAOYSA-N
XLogP1.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.62
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,1-difluoro-3-iodo-2-methylhexane
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azane;carbonic acid;1,1-difluorobutane;2-methylpropane
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Frequently Asked Questions

What is the IUPAC name of 1-fluorobutane-1-sulfinyl chloride?
The IUPAC name of 1-fluorobutane-1-sulfinyl chloride (CID 155434403) is 1-fluorobutane-1-sulfinyl chloride.
What is the SMILES notation for 1-fluorobutane-1-sulfinyl chloride?
The canonical SMILES for 1-fluorobutane-1-sulfinyl chloride is CCCC(F)S(=O)Cl.
What is the InChIKey of 1-fluorobutane-1-sulfinyl chloride?
The InChIKey is BMDXENWQUGKFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClFOS/c1-2-3-4(6)8(5)7/h4H,2-3H2,1H3.
What are the key properties of 1-fluorobutane-1-sulfinyl chloride?
1-fluorobutane-1-sulfinyl chloride has a molecular weight of 158.62 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutane-1-sulfinyl chloride is sourced from PubChem (CID 155434403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).