1-(trifluoromethylsulfanyl)naphthalene

C11H7F3S — CID 102194842

IUPAC1-(trifluoromethylsulfanyl)naphthalene
SMILESFC(F)(F)Sc1cccc2ccccc12
InChIInChI=1S/C11H7F3S/c12-11(13,14)15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyUDYZCPLDNVILCZ-UHFFFAOYSA-N
MW228.24 g/mol
LogP4.45
Rot. Bonds1

About 1-(trifluoromethylsulfanyl)naphthalene

1-(trifluoromethylsulfanyl)naphthalene (PubChem CID 102194842) has the molecular formula C11H7F3S and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-(trifluoromethylsulfanyl)naphthalene.

Molecular Properties

Compound Name1-(trifluoromethylsulfanyl)naphthalene
PubChem CID102194842
Molecular FormulaC11H7F3S
Molecular Weight228.24 g/mol
Exact Mass228.02
IUPAC Name1-(trifluoromethylsulfanyl)naphthalene
SMILESFC(F)(F)Sc1cccc2ccccc12
InChIInChI=1S/C11H7F3S/c12-11(13,14)15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyUDYZCPLDNVILCZ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfanyl)naphthalene?
The IUPAC name of 1-(trifluoromethylsulfanyl)naphthalene (CID 102194842) is 1-(trifluoromethylsulfanyl)naphthalene.
What is the SMILES notation for 1-(trifluoromethylsulfanyl)naphthalene?
The canonical SMILES for 1-(trifluoromethylsulfanyl)naphthalene is FC(F)(F)Sc1cccc2ccccc12.
What is the InChIKey of 1-(trifluoromethylsulfanyl)naphthalene?
The InChIKey is UDYZCPLDNVILCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3S/c12-11(13,14)15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of 1-(trifluoromethylsulfanyl)naphthalene?
1-(trifluoromethylsulfanyl)naphthalene has a molecular weight of 228.24 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfanyl)naphthalene is sourced from PubChem (CID 102194842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).