1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene

C18H13F3S — CID 14297319

IUPAC1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene
SMILESFC(F)(F)C(Sc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C18H13F3S/c19-18(20,21)17(22-14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H
InChIKeyZPTVRWYXBKHGNE-UHFFFAOYSA-N
MW318.36 g/mol
LogP6.24
Rot. Bonds3

About 1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene

1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene (PubChem CID 14297319) has the molecular formula C18H13F3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene.

Molecular Properties

Compound Name1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene
PubChem CID14297319
Molecular FormulaC18H13F3S
Molecular Weight318.36 g/mol
Exact Mass318.07
IUPAC Name1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene
SMILESFC(F)(F)C(Sc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C18H13F3S/c19-18(20,21)17(22-14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H
InChIKeyZPTVRWYXBKHGNE-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.36
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene?
The IUPAC name of 1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene (CID 14297319) is 1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene.
What is the SMILES notation for 1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene?
The canonical SMILES for 1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene is FC(F)(F)C(Sc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene?
The InChIKey is ZPTVRWYXBKHGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3S/c19-18(20,21)17(22-14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H.
What are the key properties of 1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene?
1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene has a molecular weight of 318.36 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene is sourced from PubChem (CID 14297319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).