ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane

C14H24FPS — CID 143652362

IUPACethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane
SMILESCC.CC(C)Sc1ccc(CCCPF)cc1
InChIInChI=1S/C12H18FPS.C2H6/c1-10(2)15-12-7-5-11(6-8-12)4-3-9-14-13;1-2/h5-8,10,14H,3-4,9H2,1-2H3;1-2H3
InChIKeyPLJTWQOBQXRXIG-UHFFFAOYSA-N
MW274.39 g/mol
LogP5.71
Rot. Bonds6

About ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane

ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane (PubChem CID 143652362) has the molecular formula C14H24FPS and a molecular weight of 274.39 g/mol. Its IUPAC name is ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane.

Molecular Properties

Compound Nameethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane
PubChem CID143652362
Molecular FormulaC14H24FPS
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Nameethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane
SMILESCC.CC(C)Sc1ccc(CCCPF)cc1
InChIInChI=1S/C12H18FPS.C2H6/c1-10(2)15-12-7-5-11(6-8-12)4-3-9-14-13;1-2/h5-8,10,14H,3-4,9H2,1-2H3;1-2H3
InChIKeyPLJTWQOBQXRXIG-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.39
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane?
The IUPAC name of ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane (CID 143652362) is ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane.
What is the SMILES notation for ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane?
The canonical SMILES for ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane is CC.CC(C)Sc1ccc(CCCPF)cc1.
What is the InChIKey of ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane?
The InChIKey is PLJTWQOBQXRXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FPS.C2H6/c1-10(2)15-12-7-5-11(6-8-12)4-3-9-14-13;1-2/h5-8,10,14H,3-4,9H2,1-2H3;1-2H3.
What are the key properties of ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane?
ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane has a molecular weight of 274.39 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane is sourced from PubChem (CID 143652362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).