6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran

C19H16F4O — CID 118586668

IUPAC6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESCc1ccc(-c2ccc(C3=CCC(C)CO3)c(F)c2F)c(F)c1F
InChIInChI=1S/C19H16F4O/c1-10-3-8-15(24-9-10)14-7-6-13(18(22)19(14)23)12-5-4-11(2)16(20)17(12)21/h4-8,10H,3,9H2,1-2H3
InChIKeyYRQUQYJAEWBVIK-UHFFFAOYSA-N
MW336.33 g/mol
LogP5.62
Rot. Bonds2

About 6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran

6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 118586668) has the molecular formula C19H16F4O and a molecular weight of 336.33 g/mol. Its IUPAC name is 6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran
PubChem CID118586668
Molecular FormulaC19H16F4O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC Name6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran
SMILESCc1ccc(-c2ccc(C3=CCC(C)CO3)c(F)c2F)c(F)c1F
InChIInChI=1S/C19H16F4O/c1-10-3-8-15(24-9-10)14-7-6-13(18(22)19(14)23)12-5-4-11(2)16(20)17(12)21/h4-8,10H,3,9H2,1-2H3
InChIKeyYRQUQYJAEWBVIK-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.33
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran (CID 118586668) is 6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran is Cc1ccc(-c2ccc(C3=CCC(C)CO3)c(F)c2F)c(F)c1F.
What is the InChIKey of 6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is YRQUQYJAEWBVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4O/c1-10-3-8-15(24-9-10)14-7-6-13(18(22)19(14)23)12-5-4-11(2)16(20)17(12)21/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran?
6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 336.33 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118586668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).