2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene

C22H15F3OS — CID 132554954

IUPAC2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene
SMILESFC(F)(F)SC1=CC(c2ccccc2)(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C22H15F3OS/c23-22(24,25)27-20-15-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)26-19-14-8-7-13-18(19)20/h1-15H
InChIKeyIVAYBYTTYQIAQD-UHFFFAOYSA-N
MW384.42 g/mol
LogP6.62
Rot. Bonds3

About 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene

2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene (PubChem CID 132554954) has the molecular formula C22H15F3OS and a molecular weight of 384.42 g/mol. Its IUPAC name is 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene.

Molecular Properties

Compound Name2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene
PubChem CID132554954
Molecular FormulaC22H15F3OS
Molecular Weight384.42 g/mol
Exact Mass384.08
IUPAC Name2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene
SMILESFC(F)(F)SC1=CC(c2ccccc2)(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C22H15F3OS/c23-22(24,25)27-20-15-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)26-19-14-8-7-13-18(19)20/h1-15H
InChIKeyIVAYBYTTYQIAQD-UHFFFAOYSA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.42
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Biphenylyl phenyl ether
CID 81220
4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-3,5-difluoro-4'-propyl-1,1'-biphenyl
CID 20654145
7-fluoro-2-(4-fluorophenyl)-4H-chromene-4-thione
CID 46231935
Xanthene-9-Thione
CID 300362
7-fluoro-2-p-tolyl-4H-chromene-4-thione
CID 46231936
2,4-diphenyl-4H-chromene
CID 4524534
[Phenoxy(diphenyl)methyl]benzene
CID 226770
9-Benzylidenexanthene
CID 623062
2-Phenyl-1-benzopyran-4(4H)-thione
CID 79592
4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4'-ethyl-3,5-difluoro-1,1'-biphenyl
CID 58402371
tFMePO-CF2-dF3B
CID 122630239
tFPO-CF2-2FB
CID 132229244

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene?
The IUPAC name of 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene (CID 132554954) is 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene.
What is the SMILES notation for 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene?
The canonical SMILES for 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene is FC(F)(F)SC1=CC(c2ccccc2)(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene?
The InChIKey is IVAYBYTTYQIAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3OS/c23-22(24,25)27-20-15-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)26-19-14-8-7-13-18(19)20/h1-15H.
What are the key properties of 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene?
2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene has a molecular weight of 384.42 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-4-(trifluoromethylsulfanyl)chromene is sourced from PubChem (CID 132554954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).