1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene

C14H12F2S — CID 14982603

IUPAC1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene
SMILESCSC(F)(F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12F2S/c1-17-14(15,16)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyNTLZTWIDPDOZHS-UHFFFAOYSA-N
MW250.31 g/mol
LogP4.77
Rot. Bonds3

About 1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene

1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene (PubChem CID 14982603) has the molecular formula C14H12F2S and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene
PubChem CID14982603
Molecular FormulaC14H12F2S
Molecular Weight250.31 g/mol
Exact Mass250.06
IUPAC Name1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene
SMILESCSC(F)(F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12F2S/c1-17-14(15,16)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyNTLZTWIDPDOZHS-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene?
The IUPAC name of 1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene (CID 14982603) is 1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene.
What is the SMILES notation for 1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene?
The canonical SMILES for 1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene is CSC(F)(F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene?
The InChIKey is NTLZTWIDPDOZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2S/c1-17-14(15,16)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene?
1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene has a molecular weight of 250.31 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methylsulfanyl)methyl]-4-phenylbenzene is sourced from PubChem (CID 14982603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).