3-(4-fluorophenyl)sulfanyloxolane

C10H11FOS — CID 131174908

IUPAC3-(4-fluorophenyl)sulfanyloxolane
SMILESFc1ccc(SC2CCOC2)cc1
InChIInChI=1S/C10H11FOS/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10H,5-7H2
InChIKeyPEKZZYMPJQAMIP-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.71
Rot. Bonds2

About 3-(4-fluorophenyl)sulfanyloxolane

3-(4-fluorophenyl)sulfanyloxolane (PubChem CID 131174908) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyloxolane.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyloxolane
PubChem CID131174908
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name3-(4-fluorophenyl)sulfanyloxolane
SMILESFc1ccc(SC2CCOC2)cc1
InChIInChI=1S/C10H11FOS/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10H,5-7H2
InChIKeyPEKZZYMPJQAMIP-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 69685
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4-Fluorophenyl 2-oxiranylmethyl sulfide
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CID 2759148
2-(Phenylthio)tetrahydrofuran
CID 361776
[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10800553
(2,2,2-Trifluoro-1-methoxyethyl)sulfanylbenzene
CID 11276083
1-Allylsulfanyl-4-fluorobenzene
CID 12261862
1-[(2,2-Diethoxyethyl)thio]-4-fluorobenzene
CID 12475295
1-Allylsulfanyl-3-fluorobenzene
CID 91656198

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyloxolane?
The IUPAC name of 3-(4-fluorophenyl)sulfanyloxolane (CID 131174908) is 3-(4-fluorophenyl)sulfanyloxolane.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyloxolane?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyloxolane is Fc1ccc(SC2CCOC2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyloxolane?
The InChIKey is PEKZZYMPJQAMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10H,5-7H2.
What are the key properties of 3-(4-fluorophenyl)sulfanyloxolane?
3-(4-fluorophenyl)sulfanyloxolane has a molecular weight of 198.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyloxolane is sourced from PubChem (CID 131174908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).