1-[difluoro(methylsulfanyl)methyl]naphthalene

C12H10F2S — CID 14982601

IUPAC1-[difluoro(methylsulfanyl)methyl]naphthalene
SMILESCSC(F)(F)c1cccc2ccccc12
InChIInChI=1S/C12H10F2S/c1-15-12(13,14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyDDKUVFORTWINAM-UHFFFAOYSA-N
MW224.28 g/mol
LogP4.25
Rot. Bonds2

About 1-[difluoro(methylsulfanyl)methyl]naphthalene

1-[difluoro(methylsulfanyl)methyl]naphthalene (PubChem CID 14982601) has the molecular formula C12H10F2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[difluoro(methylsulfanyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[difluoro(methylsulfanyl)methyl]naphthalene
PubChem CID14982601
Molecular FormulaC12H10F2S
Molecular Weight224.28 g/mol
Exact Mass224.05
IUPAC Name1-[difluoro(methylsulfanyl)methyl]naphthalene
SMILESCSC(F)(F)c1cccc2ccccc12
InChIInChI=1S/C12H10F2S/c1-15-12(13,14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyDDKUVFORTWINAM-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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Related Compounds

2,2-difluoro-2-naphthalen-1-ylethanol
CID 116841204
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene
CID 140973292
1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
CID 63898473
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)naphthalene
CID 12871981
1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
CID 116839348
1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
CID 118544454
1-(trichloromethyl)naphthalene
CID 12791328
[difluoro(naphthalen-1-yl)methyl]-dioxido-sulfanylidene-λ5-phosphane
CID 23236801
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
CID 57258999
1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine
CID 80604679

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methylsulfanyl)methyl]naphthalene?
The IUPAC name of 1-[difluoro(methylsulfanyl)methyl]naphthalene (CID 14982601) is 1-[difluoro(methylsulfanyl)methyl]naphthalene.
What is the SMILES notation for 1-[difluoro(methylsulfanyl)methyl]naphthalene?
The canonical SMILES for 1-[difluoro(methylsulfanyl)methyl]naphthalene is CSC(F)(F)c1cccc2ccccc12.
What is the InChIKey of 1-[difluoro(methylsulfanyl)methyl]naphthalene?
The InChIKey is DDKUVFORTWINAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2S/c1-15-12(13,14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3.
What are the key properties of 1-[difluoro(methylsulfanyl)methyl]naphthalene?
1-[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 1-[difluoro(methylsulfanyl)methyl]naphthalene is sourced from PubChem (CID 14982601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).