2-[difluoro(methylsulfanyl)methyl]naphthalene

C12H10F2S — CID 100990407

IUPAC2-[difluoro(methylsulfanyl)methyl]naphthalene
SMILESCSC(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C12H10F2S/c1-15-12(13,14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKeyGOUGPOWNAJXABG-UHFFFAOYSA-N
MW224.28 g/mol
LogP4.25
Rot. Bonds2

About 2-[difluoro(methylsulfanyl)methyl]naphthalene

2-[difluoro(methylsulfanyl)methyl]naphthalene (PubChem CID 100990407) has the molecular formula C12H10F2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[difluoro(methylsulfanyl)methyl]naphthalene.

Molecular Properties

Compound Name2-[difluoro(methylsulfanyl)methyl]naphthalene
PubChem CID100990407
Molecular FormulaC12H10F2S
Molecular Weight224.28 g/mol
Exact Mass224.05
IUPAC Name2-[difluoro(methylsulfanyl)methyl]naphthalene
SMILESCSC(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C12H10F2S/c1-15-12(13,14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKeyGOUGPOWNAJXABG-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(methylsulfanyl)methyl]naphthalene?
The IUPAC name of 2-[difluoro(methylsulfanyl)methyl]naphthalene (CID 100990407) is 2-[difluoro(methylsulfanyl)methyl]naphthalene.
What is the SMILES notation for 2-[difluoro(methylsulfanyl)methyl]naphthalene?
The canonical SMILES for 2-[difluoro(methylsulfanyl)methyl]naphthalene is CSC(F)(F)c1ccc2ccccc2c1.
What is the InChIKey of 2-[difluoro(methylsulfanyl)methyl]naphthalene?
The InChIKey is GOUGPOWNAJXABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2S/c1-15-12(13,14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3.
What are the key properties of 2-[difluoro(methylsulfanyl)methyl]naphthalene?
2-[difluoro(methylsulfanyl)methyl]naphthalene has a molecular weight of 224.28 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-[difluoro(methylsulfanyl)methyl]naphthalene is sourced from PubChem (CID 100990407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).