1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene

C14H21FOS — CID 163542733

IUPAC1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene
SMILESCC(CSCc1ccc(F)cc1)OC(C)(C)C
InChIInChI=1S/C14H21FOS/c1-11(16-14(2,3)4)9-17-10-12-5-7-13(15)8-6-12/h5-8,11H,9-10H2,1-4H3
InChIKeyFCMNWJVMEPFXDW-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.26
Rot. Bonds5

About 1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene

1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene (PubChem CID 163542733) has the molecular formula C14H21FOS and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene
PubChem CID163542733
Molecular FormulaC14H21FOS
Molecular Weight256.39 g/mol
Exact Mass256.13
IUPAC Name1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene
SMILESCC(CSCc1ccc(F)cc1)OC(C)(C)C
InChIInChI=1S/C14H21FOS/c1-11(16-14(2,3)4)9-17-10-12-5-7-13(15)8-6-12/h5-8,11H,9-10H2,1-4H3
InChIKeyFCMNWJVMEPFXDW-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene?
The IUPAC name of 1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene (CID 163542733) is 1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene is CC(CSCc1ccc(F)cc1)OC(C)(C)C.
What is the InChIKey of 1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene?
The InChIKey is FCMNWJVMEPFXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FOS/c1-11(16-14(2,3)4)9-17-10-12-5-7-13(15)8-6-12/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene?
1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene has a molecular weight of 256.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]benzene is sourced from PubChem (CID 163542733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).