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

C12H18FPS — CID 143652363

IUPACfluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane
SMILESCC(C)Sc1ccc(CCCPF)cc1
InChIInChI=1S/C12H18FPS/c1-10(2)15-12-7-5-11(6-8-12)4-3-9-14-13/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyCPFRPPBJOLIITL-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.68
Rot. Bonds6

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

fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane (PubChem CID 143652363) has the molecular formula C12H18FPS and a molecular weight of 244.31 g/mol. Its IUPAC name is fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane.

Molecular Properties

Compound Namefluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane
PubChem CID143652363
Molecular FormulaC12H18FPS
Molecular Weight244.31 g/mol
Exact Mass244.09
IUPAC Namefluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane
SMILESCC(C)Sc1ccc(CCCPF)cc1
InChIInChI=1S/C12H18FPS/c1-10(2)15-12-7-5-11(6-8-12)4-3-9-14-13/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyCPFRPPBJOLIITL-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.68
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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Related Compounds

ethane;fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane
CID 143652362
2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 63820186
1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene
CID 116932253
N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine
CID 98014943
2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 63808063
4-[(4-propan-2-ylsulfanylphenyl)methylamino]butan-1-ol
CID 115217612
2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 116924750
2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide
CID 115152034
N-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine
CID 115226560
3-(4-propan-2-ylsulfanylanilino)propane-1-thiol
CID 115224630
2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 105425831
2-methyl-3-[(4-propan-2-ylsulfanylphenyl)methylamino]propanoic acid
CID 115219449

Frequently Asked Questions

What is the IUPAC name of fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane?
The IUPAC name of fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane (CID 143652363) is fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane.
What is the SMILES notation for fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane?
The canonical SMILES for fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane is CC(C)Sc1ccc(CCCPF)cc1.
What is the InChIKey of fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane?
The InChIKey is CPFRPPBJOLIITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FPS/c1-10(2)15-12-7-5-11(6-8-12)4-3-9-14-13/h5-8,10,14H,3-4,9H2,1-2H3.
What are the key properties of fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane?
fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane has a molecular weight of 244.31 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[3-(4-propan-2-ylsulfanylphenyl)propyl]phosphane is sourced from PubChem (CID 143652363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).