2-(1,2,2-trifluoroethenylsulfanyl)naphthalene

C12H7F3S — CID 171618825

IUPAC2-(1,2,2-trifluoroethenylsulfanyl)naphthalene
SMILESFC(F)=C(F)Sc1ccc2ccccc2c1
InChIInChI=1S/C12H7F3S/c13-11(14)12(15)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyXPIARCCXXFMDOB-UHFFFAOYSA-N
MW240.25 g/mol
LogP4.97
Rot. Bonds2

About 2-(1,2,2-trifluoroethenylsulfanyl)naphthalene

2-(1,2,2-trifluoroethenylsulfanyl)naphthalene (PubChem CID 171618825) has the molecular formula C12H7F3S and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-(1,2,2-trifluoroethenylsulfanyl)naphthalene.

Molecular Properties

Compound Name2-(1,2,2-trifluoroethenylsulfanyl)naphthalene
PubChem CID171618825
Molecular FormulaC12H7F3S
Molecular Weight240.25 g/mol
Exact Mass240.02
IUPAC Name2-(1,2,2-trifluoroethenylsulfanyl)naphthalene
SMILESFC(F)=C(F)Sc1ccc2ccccc2c1
InChIInChI=1S/C12H7F3S/c13-11(14)12(15)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyXPIARCCXXFMDOB-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trifluoroethenylsulfanyl)naphthalene?
The IUPAC name of 2-(1,2,2-trifluoroethenylsulfanyl)naphthalene (CID 171618825) is 2-(1,2,2-trifluoroethenylsulfanyl)naphthalene.
What is the SMILES notation for 2-(1,2,2-trifluoroethenylsulfanyl)naphthalene?
The canonical SMILES for 2-(1,2,2-trifluoroethenylsulfanyl)naphthalene is FC(F)=C(F)Sc1ccc2ccccc2c1.
What is the InChIKey of 2-(1,2,2-trifluoroethenylsulfanyl)naphthalene?
The InChIKey is XPIARCCXXFMDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3S/c13-11(14)12(15)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of 2-(1,2,2-trifluoroethenylsulfanyl)naphthalene?
2-(1,2,2-trifluoroethenylsulfanyl)naphthalene has a molecular weight of 240.25 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trifluoroethenylsulfanyl)naphthalene is sourced from PubChem (CID 171618825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).