1-(trifluoromethylsulfanyloxy)naphthalene

C11H7F3OS — CID 175533116

IUPAC1-(trifluoromethylsulfanyloxy)naphthalene
SMILESFC(F)(F)SOc1cccc2ccccc12
InChIInChI=1S/C11H7F3OS/c12-11(13,14)16-15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyVGNWHGYWCYZCKD-UHFFFAOYSA-N
MW244.24 g/mol
LogP4.39
Rot. Bonds2

About 1-(trifluoromethylsulfanyloxy)naphthalene

1-(trifluoromethylsulfanyloxy)naphthalene (PubChem CID 175533116) has the molecular formula C11H7F3OS and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-(trifluoromethylsulfanyloxy)naphthalene.

Molecular Properties

Compound Name1-(trifluoromethylsulfanyloxy)naphthalene
PubChem CID175533116
Molecular FormulaC11H7F3OS
Molecular Weight244.24 g/mol
Exact Mass244.02
IUPAC Name1-(trifluoromethylsulfanyloxy)naphthalene
SMILESFC(F)(F)SOc1cccc2ccccc12
InChIInChI=1S/C11H7F3OS/c12-11(13,14)16-15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyVGNWHGYWCYZCKD-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(trifluoromethylsulfanyloxy)naphthalene
CID 142371269
1-phenylsulfanyloxynaphthalene
CID 174251296
1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene
CID 118217383
(E)-dinaphthalen-1-yloxydiazene
CID 67562548
1-(2,6-difluorophenoxy)naphthalene
CID 90910204
1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene
CID 64764413
1-(trifluoromethylsulfanylmethyl)naphthalene
CID 138971770
1-fluorosulfonyloxynaphthalene
CID 14897549
1,1,2,2-tetrafluoro-2-naphthalen-1-yloxyethanesulfonic acid
CID 59344322
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
1-[dibromo(methoxy)methoxy]naphthalene
CID 168966403
1-(2,2-difluoroethenoxy)naphthalene
CID 101364927

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfanyloxy)naphthalene?
The IUPAC name of 1-(trifluoromethylsulfanyloxy)naphthalene (CID 175533116) is 1-(trifluoromethylsulfanyloxy)naphthalene.
What is the SMILES notation for 1-(trifluoromethylsulfanyloxy)naphthalene?
The canonical SMILES for 1-(trifluoromethylsulfanyloxy)naphthalene is FC(F)(F)SOc1cccc2ccccc12.
What is the InChIKey of 1-(trifluoromethylsulfanyloxy)naphthalene?
The InChIKey is VGNWHGYWCYZCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3OS/c12-11(13,14)16-15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of 1-(trifluoromethylsulfanyloxy)naphthalene?
1-(trifluoromethylsulfanyloxy)naphthalene has a molecular weight of 244.24 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfanyloxy)naphthalene is sourced from PubChem (CID 175533116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).