8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene

C33H31F3O — CID 59794974

IUPAC8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene
SMILESCCCc1ccc(CCc2ccc(-c3ccc(-c4cc(F)c5c(c4)CCC(C)O5)cc3)cc2F)c(F)c1
InChIInChI=1S/C33H31F3O/c1-3-4-22-6-8-25(30(34)17-22)13-14-26-15-16-27(19-31(26)35)23-9-11-24(12-10-23)29-18-28-7-5-21(2)37-33(28)32(36)20-29/h6,8-12,15-21H,3-5,7,13-14H2,1-2H3
InChIKeyWIFDZTNRSYVBAJ-UHFFFAOYSA-N
MW500.60 g/mol
LogP8.89
Rot. Bonds7

About 8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene

8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene (PubChem CID 59794974) has the molecular formula C33H31F3O and a molecular weight of 500.60 g/mol. Its IUPAC name is 8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene
PubChem CID59794974
Molecular FormulaC33H31F3O
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC Name8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene
SMILESCCCc1ccc(CCc2ccc(-c3ccc(-c4cc(F)c5c(c4)CCC(C)O5)cc3)cc2F)c(F)c1
InChIInChI=1S/C33H31F3O/c1-3-4-22-6-8-25(30(34)17-22)13-14-26-15-16-27(19-31(26)35)23-9-11-24(12-10-23)29-18-28-7-5-21(2)37-33(28)32(36)20-29/h6,8-12,15-21H,3-5,7,13-14H2,1-2H3
InChIKeyWIFDZTNRSYVBAJ-UHFFFAOYSA-N
XLogP8.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene (CID 59794974) is 8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene is CCCc1ccc(CCc2ccc(-c3ccc(-c4cc(F)c5c(c4)CCC(C)O5)cc3)cc2F)c(F)c1.
What is the InChIKey of 8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene?
The InChIKey is WIFDZTNRSYVBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F3O/c1-3-4-22-6-8-25(30(34)17-22)13-14-26-15-16-27(19-31(26)35)23-9-11-24(12-10-23)29-18-28-7-5-21(2)37-33(28)32(36)20-29/h6,8-12,15-21H,3-5,7,13-14H2,1-2H3.
What are the key properties of 8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene?
8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene has a molecular weight of 500.60 g/mol, XLogP of 8.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59794974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).