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

C14H18F2O2S — CID 124565486

IUPAC(2S)-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-/m0/s1
InChIKeyAPBKCBCPVSDREM-AWEZNQCLSA-N
MW288.36 g/mol
LogP3.99
Rot. Bonds6

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

(2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane (PubChem CID 124565486) has the molecular formula C14H18F2O2S and a molecular weight of 288.36 g/mol. Its IUPAC name is (2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane.

Molecular Properties

Compound Name(2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane
PubChem CID124565486
Molecular FormulaC14H18F2O2S
Molecular Weight288.36 g/mol
Exact Mass288.10
IUPAC Name(2S)-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-/m0/s1
InChIKeyAPBKCBCPVSDREM-AWEZNQCLSA-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

2-[2-(2,4-difluorophenyl)sulfanylethyl]-1,3-dioxane
CID 66475176
2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
CID 20633393
2-[4-(4-methylphenyl)pentoxy]oxane
CID 13212687
2-(4-methoxysulfanylbutoxy)oxane
CID 143349371
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
(E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one
CID 59303190
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
2-[3-(2,4-difluorophenyl)sulfanylpropoxy]benzonitrile
CID 43290144
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
2-[4-[(3,4-dichlorophenyl)methylsulfanyl]butoxy]oxane
CID 2794924

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane?
The IUPAC name of (2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane (CID 124565486) is (2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane.
What is the SMILES notation for (2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane?
The canonical SMILES for (2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane is Fc1ccc(SCCCO[C@H]2CCCCO2)c(F)c1.
What is the InChIKey of (2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane?
The InChIKey is APBKCBCPVSDREM-AWEZNQCLSA-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-/m0/s1.
What are the key properties of (2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane?
(2S)-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 (2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane is sourced from PubChem (CID 124565486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).