(2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane

C14H18F2O2S — CID 124565485

IUPAC(2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane
SMILESFc1ccc(SCCCO[C@@H]2CCCCO2)c(F)c1
InChIInChI=1S/C14H18F2O2S/c15-11-5-6-13(12(16)10-11)19-9-3-8-18-14-4-1-2-7-17-14/h5-6,10,14H,1-4,7-9H2/t14-/m1/s1
InChIKeyAPBKCBCPVSDREM-CQSZACIVSA-N
MW288.36 g/mol
LogP3.99
Rot. Bonds6

About (2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane

(2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane (PubChem CID 124565485) has the molecular formula C14H18F2O2S and a molecular weight of 288.36 g/mol. Its IUPAC name is (2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane.

Molecular Properties

Compound Name(2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane
PubChem CID124565485
Molecular FormulaC14H18F2O2S
Molecular Weight288.36 g/mol
Exact Mass288.10
IUPAC Name(2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane
SMILESFc1ccc(SCCCO[C@@H]2CCCCO2)c(F)c1
InChIInChI=1S/C14H18F2O2S/c15-11-5-6-13(12(16)10-11)19-9-3-8-18-14-4-1-2-7-17-14/h5-6,10,14H,1-4,7-9H2/t14-/m1/s1
InChIKeyAPBKCBCPVSDREM-CQSZACIVSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2,2-Diethoxyethyl)thio]-4-fluorobenzene
CID 12475295
[(3,3-Diethoxypropyl)sulfanyl]benzene
CID 3746341
[(2,2-Diethoxyethyl)sulfanyl]benzene
CID 12463580
2-[(2E,6E)-3,7-dimethyl-8-phenylsulfanyl-octa-2,6-dienoxy]tetrahydropyran
CID 12116733
2-[2-(Phenylthio)prop-2-enoxy]tetrahydropyran
CID 24973546
2-((5,5-Bis(phenylthio)pentyl)oxy)tetrahydro-2H-pyran
CID 361790
1-[(2,2-Dimethoxyethyl)sulfanyl]-3-fluorobenzene
CID 18176371
2-(1-Phenylthiolan-1-ium-3-yl)oxyoxane;trifluoromethanesulfonate
CID 18350153
(2,2-Dimethoxyethyl)(4-fluorophenyl)sulfane
CID 19800081
2-{[5-(S-Benzene-N-methanesulfonimidoyl)-5-fluoropentyl]oxy}oxane
CID 20277603
2-(3-Fluorophenyl)sulfanyloxane
CID 53483236
4-[(2,2-Diethoxyethyl)sulfanyl]-1,2-difluorobenzene
CID 55248980

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane?
The IUPAC name of (2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane (CID 124565485) is (2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane.
What is the SMILES notation for (2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane?
The canonical SMILES for (2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane is Fc1ccc(SCCCO[C@@H]2CCCCO2)c(F)c1.
What is the InChIKey of (2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane?
The InChIKey is APBKCBCPVSDREM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18F2O2S/c15-11-5-6-13(12(16)10-11)19-9-3-8-18-14-4-1-2-7-17-14/h5-6,10,14H,1-4,7-9H2/t14-/m1/s1.
What are the key properties of (2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane?
(2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane has a molecular weight of 288.36 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane is sourced from PubChem (CID 124565485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).