pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane

C9H10F6OS — CID 143774712

IUPACpentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane
SMILESCC(COS(F)(F)(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C9H10F6OS/c1-7(6-16-17(11,12,13,14)15)8-2-4-9(10)5-3-8/h2-5,7H,6H2,1H3
InChIKeyQHSFIJNBNJDFHA-UHFFFAOYSA-N
MW280.23 g/mol
LogP5.16
Rot. Bonds4

About pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane

pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane (PubChem CID 143774712) has the molecular formula C9H10F6OS and a molecular weight of 280.23 g/mol. Its IUPAC name is pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane
PubChem CID143774712
Molecular FormulaC9H10F6OS
Molecular Weight280.23 g/mol
Exact Mass280.04
IUPAC Namepentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane
SMILESCC(COS(F)(F)(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C9H10F6OS/c1-7(6-16-17(11,12,13,14)15)8-2-4-9(10)5-3-8/h2-5,7H,6H2,1H3
InChIKeyQHSFIJNBNJDFHA-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.23
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-fluoro-4-(1-propoxypropan-2-yl)benzene
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1-butan-2-yl-4-fluorobenzene
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(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
tris[2-(4-fluorophenyl)propyl]alumane;hydrate
CID 141059383
1-fluoro-4-pent-4-yn-2-ylbenzene
CID 83930939
1-(4-bromopentan-2-yl)-4-fluorobenzene
CID 64721249
1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
CID 157107563
1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene
CID 118425163
1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene
CID 91711845

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane?
The IUPAC name of pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane (CID 143774712) is pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane?
The canonical SMILES for pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane is CC(COS(F)(F)(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane?
The InChIKey is QHSFIJNBNJDFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6OS/c1-7(6-16-17(11,12,13,14)15)8-2-4-9(10)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane?
pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane has a molecular weight of 280.23 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane is sourced from PubChem (CID 143774712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).