2-(1-fluoroethylsulfanyl)naphthalene

C12H11FS — CID 139914119

IUPAC2-(1-fluoroethylsulfanyl)naphthalene
SMILESCC(F)Sc1ccc2ccccc2c1
InChIInChI=1S/C12H11FS/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3
InChIKeyRQRRYAMZLSFAQI-UHFFFAOYSA-N
MW206.28 g/mol
LogP4.25
Rot. Bonds2

About 2-(1-fluoroethylsulfanyl)naphthalene

2-(1-fluoroethylsulfanyl)naphthalene (PubChem CID 139914119) has the molecular formula C12H11FS and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(1-fluoroethylsulfanyl)naphthalene.

Molecular Properties

Compound Name2-(1-fluoroethylsulfanyl)naphthalene
PubChem CID139914119
Molecular FormulaC12H11FS
Molecular Weight206.28 g/mol
Exact Mass206.06
IUPAC Name2-(1-fluoroethylsulfanyl)naphthalene
SMILESCC(F)Sc1ccc2ccccc2c1
InChIInChI=1S/C12H11FS/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3
InChIKeyRQRRYAMZLSFAQI-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-2-ylsulfanylpropanal
CID 165440090
3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol
CID 64898105
2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
CID 43411864
3,3,3-trifluoro-2-naphthalen-2-ylsulfanylpropan-1-amine
CID 43753048
(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7402921
(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
CID 2500778
anthracene;2-methylpropane
CID 142471530
2,3,6,7,10,11-hexakis(naphthalen-2-ylsulfanyl)triphenylene
CID 20661250
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
CID 7402963
ethyl 2-hydroxy-2-naphthalen-2-ylsulfanylacetate
CID 71387535
4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43103988
ethane;2-propan-2-ylnaphthalene
CID 142226111

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethylsulfanyl)naphthalene?
The IUPAC name of 2-(1-fluoroethylsulfanyl)naphthalene (CID 139914119) is 2-(1-fluoroethylsulfanyl)naphthalene.
What is the SMILES notation for 2-(1-fluoroethylsulfanyl)naphthalene?
The canonical SMILES for 2-(1-fluoroethylsulfanyl)naphthalene is CC(F)Sc1ccc2ccccc2c1.
What is the InChIKey of 2-(1-fluoroethylsulfanyl)naphthalene?
The InChIKey is RQRRYAMZLSFAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FS/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3.
What are the key properties of 2-(1-fluoroethylsulfanyl)naphthalene?
2-(1-fluoroethylsulfanyl)naphthalene has a molecular weight of 206.28 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethylsulfanyl)naphthalene is sourced from PubChem (CID 139914119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).