1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene

C16H16F2S — CID 19436207

IUPAC1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C16H16F2S/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18/h4-11,16H,2-3H2,1H3
InChIKeyFCNVQZDYUKCRSM-UHFFFAOYSA-N
MW278.37 g/mol
LogP5.62
Rot. Bonds5

About 1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene

1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene (PubChem CID 19436207) has the molecular formula C16H16F2S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene
PubChem CID19436207
Molecular FormulaC16H16F2S
Molecular Weight278.37 g/mol
Exact Mass278.09
IUPAC Name1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C16H16F2S/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18/h4-11,16H,2-3H2,1H3
InChIKeyFCNVQZDYUKCRSM-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.37
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4'-Bis-methylsulfanyl-biphenyl
CID 618859
1-[2-(4-Methylsulfonylphenyl)-1-cyclopentenyl]-4-trifluoromethylbenzene
CID 9947309
1-Methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10403254
4-Tert-butylphenyl methyl sulfide
CID 138968
5-(4-Methanesulfonyl-phenyl)-6-(4-trifluoromethyl-phenyl)-spiro[2.4]hept-5-ene
CID 10620528
1,2-Difluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-benzene
CID 10664448
4-[2-(3-Fluoro-4-(trifluoromethyl)phenyl)-1-cyclopentenyl]-1-(methylsulfonyl)benzene
CID 10738786
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
4-(Trifluoromethylthio)toluene
CID 2777908
4,4'-Bis(ethylthio)biphenyl
CID 4026825
1-[(E)-1-ethyl-2-(4-methylphenyl)vinyl]-4-(methylsulfonyl)benzene
CID 44394299
3-Fluoro-4''-(methylsulfonyl)-4-(trifluoromethyl)biphenyl
CID 44590512

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene?
The IUPAC name of 1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene (CID 19436207) is 1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of 1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene?
The InChIKey is FCNVQZDYUKCRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2S/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18/h4-11,16H,2-3H2,1H3.
What are the key properties of 1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene?
1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene has a molecular weight of 278.37 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)-4-(4-propylphenyl)benzene is sourced from PubChem (CID 19436207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).