1-fluorobutylsulfinylbenzene

C10H13FOS — CID 10954577

IUPAC1-fluorobutylsulfinylbenzene
SMILESCCCC(F)S(=O)c1ccccc1
InChIInChI=1S/C10H13FOS/c1-2-6-10(11)13(12)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3
InChIKeyHVUDAINPGXNMKK-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.89
Rot. Bonds4

About 1-fluorobutylsulfinylbenzene

1-fluorobutylsulfinylbenzene (PubChem CID 10954577) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-fluorobutylsulfinylbenzene.

Molecular Properties

Compound Name1-fluorobutylsulfinylbenzene
PubChem CID10954577
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name1-fluorobutylsulfinylbenzene
SMILESCCCC(F)S(=O)c1ccccc1
InChIInChI=1S/C10H13FOS/c1-2-6-10(11)13(12)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3
InChIKeyHVUDAINPGXNMKK-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobutylsulfinylbenzene?
The IUPAC name of 1-fluorobutylsulfinylbenzene (CID 10954577) is 1-fluorobutylsulfinylbenzene.
What is the SMILES notation for 1-fluorobutylsulfinylbenzene?
The canonical SMILES for 1-fluorobutylsulfinylbenzene is CCCC(F)S(=O)c1ccccc1.
What is the InChIKey of 1-fluorobutylsulfinylbenzene?
The InChIKey is HVUDAINPGXNMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-2-6-10(11)13(12)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3.
What are the key properties of 1-fluorobutylsulfinylbenzene?
1-fluorobutylsulfinylbenzene has a molecular weight of 200.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutylsulfinylbenzene is sourced from PubChem (CID 10954577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).