1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene

C11H12F4OS — CID 151281984

IUPAC1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene
SMILESCCCOc1ccc(SC(F)(F)C(F)F)cc1
InChIInChI=1S/C11H12F4OS/c1-2-7-16-8-3-5-9(6-4-8)17-11(14,15)10(12)13/h3-6,10H,2,7H2,1H3
InChIKeyNYOXPTQTTGMBGC-UHFFFAOYSA-N
MW268.27 g/mol
LogP4.43
Rot. Bonds6

About 1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene

1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene (PubChem CID 151281984) has the molecular formula C11H12F4OS and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene.

Molecular Properties

Compound Name1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene
PubChem CID151281984
Molecular FormulaC11H12F4OS
Molecular Weight268.27 g/mol
Exact Mass268.05
IUPAC Name1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene
SMILESCCCOc1ccc(SC(F)(F)C(F)F)cc1
InChIInChI=1S/C11H12F4OS/c1-2-7-16-8-3-5-9(6-4-8)17-11(14,15)10(12)13/h3-6,10H,2,7H2,1H3
InChIKeyNYOXPTQTTGMBGC-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
CID 63896619
1,1,1-trifluoro-2-(4-propoxyphenyl)butan-2-ol
CID 83957964
1-tert-butyl-4-propoxy-2-(trifluoromethyl)benzene
CID 20605028
1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene
CID 23188574
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
N-(1,1-difluoropropan-2-yl)-4-propoxyaniline
CID 102869475
CID 57452703
CID 57452703
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
trifluoro-[(4-propoxyphenoxy)methyl]boranuide
CID 63701544
2-methyl-3-(4-propoxyphenyl)pentan-3-ol
CID 62796253
2-(4-propoxyphenyl)sulfanylbenzene-1,4-dicarbonitrile
CID 10565745
2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine
CID 112566600

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene?
The IUPAC name of 1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene (CID 151281984) is 1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene.
What is the SMILES notation for 1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene?
The canonical SMILES for 1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene is CCCOc1ccc(SC(F)(F)C(F)F)cc1.
What is the InChIKey of 1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene?
The InChIKey is NYOXPTQTTGMBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4OS/c1-2-7-16-8-3-5-9(6-4-8)17-11(14,15)10(12)13/h3-6,10H,2,7H2,1H3.
What are the key properties of 1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene?
1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene has a molecular weight of 268.27 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-4-(1,1,2,2-tetrafluoroethylsulfanyl)benzene is sourced from PubChem (CID 151281984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).