1-(trifluoromethylsulfanylmethyl)naphthalene

C12H9F3S — CID 138971770

IUPAC1-(trifluoromethylsulfanylmethyl)naphthalene
SMILESFC(F)(F)SCc1cccc2ccccc12
InChIInChI=1S/C12H9F3S/c13-12(14,15)16-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKeyGHBZXDZWTLHEFX-UHFFFAOYSA-N
MW242.27 g/mol
LogP4.59
Rot. Bonds2

About 1-(trifluoromethylsulfanylmethyl)naphthalene

1-(trifluoromethylsulfanylmethyl)naphthalene (PubChem CID 138971770) has the molecular formula C12H9F3S and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(trifluoromethylsulfanylmethyl)naphthalene.

Molecular Properties

Compound Name1-(trifluoromethylsulfanylmethyl)naphthalene
PubChem CID138971770
Molecular FormulaC12H9F3S
Molecular Weight242.27 g/mol
Exact Mass242.04
IUPAC Name1-(trifluoromethylsulfanylmethyl)naphthalene
SMILESFC(F)(F)SCc1cccc2ccccc12
InChIInChI=1S/C12H9F3S/c13-12(14,15)16-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKeyGHBZXDZWTLHEFX-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

naphthalen-1-ylmethyl thiocyanate
CID 10943491
1-(2-fluoro-2-methylpropyl)naphthalene
CID 118859745
bis(naphthalen-1-ylmethylsulfanyl)methanethione
CID 89023581
CID 66760372
CID 66760372
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
(Z)-2,3-bis(naphthalen-1-ylmethylsulfanyl)but-2-enedinitrile
CID 131858418
1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
CID 62963158
1,1,1,3,3,3-hexafluoro-2-(naphthalen-1-ylmethyl)propane-2-sulfonic acid
CID 89249712
1-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]naphthalene
CID 10551907
CID 57419547
CID 57419547
1-(benzylselanylmethyl)naphthalene
CID 154058407
1-(trifluoromethylsulfanyloxy)naphthalene
CID 175533116

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfanylmethyl)naphthalene?
The IUPAC name of 1-(trifluoromethylsulfanylmethyl)naphthalene (CID 138971770) is 1-(trifluoromethylsulfanylmethyl)naphthalene.
What is the SMILES notation for 1-(trifluoromethylsulfanylmethyl)naphthalene?
The canonical SMILES for 1-(trifluoromethylsulfanylmethyl)naphthalene is FC(F)(F)SCc1cccc2ccccc12.
What is the InChIKey of 1-(trifluoromethylsulfanylmethyl)naphthalene?
The InChIKey is GHBZXDZWTLHEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3S/c13-12(14,15)16-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2.
What are the key properties of 1-(trifluoromethylsulfanylmethyl)naphthalene?
1-(trifluoromethylsulfanylmethyl)naphthalene has a molecular weight of 242.27 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfanylmethyl)naphthalene is sourced from PubChem (CID 138971770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).