1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene

C13H11F3S — CID 175278434

IUPAC1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene
SMILESCC(SC(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C13H11F3S/c1-9(17-13(14,15)16)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3
InChIKeyQGXGEEIPTMMZRH-UHFFFAOYSA-N
MW256.29 g/mol
LogP5.15
Rot. Bonds2

About 1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene

1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene (PubChem CID 175278434) has the molecular formula C13H11F3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene
PubChem CID175278434
Molecular FormulaC13H11F3S
Molecular Weight256.29 g/mol
Exact Mass256.05
IUPAC Name1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene
SMILESCC(SC(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C13H11F3S/c1-9(17-13(14,15)16)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3
InChIKeyQGXGEEIPTMMZRH-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.29
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
butane;1-propan-2-ylnaphthalene
CID 157253186
1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106427136
CID 174906138
CID 174906138
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
3-naphthalen-1-ylbutane-1,2-diamine
CID 142736205
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407

Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene?
The IUPAC name of 1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene (CID 175278434) is 1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene.
What is the SMILES notation for 1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene?
The canonical SMILES for 1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene is CC(SC(F)(F)F)c1cccc2ccccc12.
What is the InChIKey of 1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene?
The InChIKey is QGXGEEIPTMMZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3S/c1-9(17-13(14,15)16)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3.
What are the key properties of 1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene?
1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene has a molecular weight of 256.29 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene is sourced from PubChem (CID 175278434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).