2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene

C33H28F6O — CID 134429338

IUPAC2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene
SMILESCCCCC1Cc2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(C)c(F)c5)c(F)c4)cc3)cc2C1
InChIInChI=1S/C33H28F6O/c1-3-4-5-20-12-23-10-11-24(14-25(23)13-20)21-6-8-22(9-7-21)26-15-30(36)32(31(37)16-26)33(38,39)40-27-17-28(34)19(2)29(35)18-27/h6-11,14-18,20H,3-5,12-13H2,1-2H3
InChIKeyCGDUKQMMPDNYGB-UHFFFAOYSA-N
MW554.57 g/mol
LogP9.92
Rot. Bonds8

About 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene

2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene (PubChem CID 134429338) has the molecular formula C33H28F6O and a molecular weight of 554.57 g/mol. Its IUPAC name is 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene
PubChem CID134429338
Molecular FormulaC33H28F6O
Molecular Weight554.57 g/mol
Exact Mass554.20
IUPAC Name2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene
SMILESCCCCC1Cc2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(C)c(F)c5)c(F)c4)cc3)cc2C1
InChIInChI=1S/C33H28F6O/c1-3-4-5-20-12-23-10-11-24(14-25(23)13-20)21-6-8-22(9-7-21)26-15-30(36)32(31(37)16-26)33(38,39)40-27-17-28(34)19(2)29(35)18-27/h6-11,14-18,20H,3-5,12-13H2,1-2H3
InChIKeyCGDUKQMMPDNYGB-UHFFFAOYSA-N
XLogP9.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.57
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]-2-pentyl-2,3-dihydro-1H-indene
CID 175685243
5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene
CID 123148079
2-butyl-5-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-2,3-dihydro-1H-indene;5-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;5-(4-cyclopentylphenyl)-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;5-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-ethyl-2,3-dihydro-1H-indene;5-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-pentyl-2,3-dihydro-1H-indene;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]oxolane;5-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene
CID 158056518
5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene
CID 123135873
1-butyl-4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]cycloheptane
CID 118360348
2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-1,3-dioxane
CID 158597486
5-[4-[4-(cyclopropylmethyl)phenyl]-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene
CID 159752884
[4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane
CID 123233909
5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]-5-propyloxane
CID 159816336
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-octylcyclohexyl)phenyl]phenyl]benzene
CID 59328278
5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane
CID 159304578
2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-pentyloxane
CID 90293857

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene?
The IUPAC name of 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene (CID 134429338) is 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene is CCCCC1Cc2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(C)c(F)c5)c(F)c4)cc3)cc2C1.
What is the InChIKey of 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene?
The InChIKey is CGDUKQMMPDNYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F6O/c1-3-4-5-20-12-23-10-11-24(14-25(23)13-20)21-6-8-22(9-7-21)26-15-30(36)32(31(37)16-26)33(38,39)40-27-17-28(34)19(2)29(35)18-27/h6-11,14-18,20H,3-5,12-13H2,1-2H3.
What are the key properties of 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene?
2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene has a molecular weight of 554.57 g/mol, XLogP of 9.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 134429338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).