5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene

C37H26F8O — CID 134241699

IUPAC5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene
SMILESCCCC1Cc2ccc(-c3ccc(-c4ccc(-c5cc(F)c(C(F)(F)Oc6cc(F)c(F)c(F)c6)c(F)c5)c(F)c4)cc3)cc2C1
InChIInChI=1S/C37H26F8O/c1-2-3-20-12-23-8-9-24(14-26(23)13-20)21-4-6-22(7-5-21)25-10-11-29(30(38)15-25)27-16-31(39)35(32(40)17-27)37(44,45)46-28-18-33(41)36(43)34(42)19-28/h4-11,14-20H,2-3,12-13H2,1H3
InChIKeyRPECZCYGIZYQHF-UHFFFAOYSA-N
MW638.60 g/mol
LogP11.17
Rot. Bonds8

About 5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene

5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene (PubChem CID 134241699) has the molecular formula C37H26F8O and a molecular weight of 638.60 g/mol. Its IUPAC name is 5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene
PubChem CID134241699
Molecular FormulaC37H26F8O
Molecular Weight638.60 g/mol
Exact Mass638.19
IUPAC Name5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene
SMILESCCCC1Cc2ccc(-c3ccc(-c4ccc(-c5cc(F)c(C(F)(F)Oc6cc(F)c(F)c(F)c6)c(F)c5)c(F)c4)cc3)cc2C1
InChIInChI=1S/C37H26F8O/c1-2-3-20-12-23-8-9-24(14-26(23)13-20)21-4-6-22(7-5-21)25-10-11-29(30(38)15-25)27-16-31(39)35(32(40)17-27)37(44,45)46-28-18-33(41)36(43)34(42)19-28/h4-11,14-20H,2-3,12-13H2,1H3
InChIKeyRPECZCYGIZYQHF-UHFFFAOYSA-N
XLogP11.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.60
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene (CID 134241699) is 5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene is CCCC1Cc2ccc(-c3ccc(-c4ccc(-c5cc(F)c(C(F)(F)Oc6cc(F)c(F)c(F)c6)c(F)c5)c(F)c4)cc3)cc2C1.
What is the InChIKey of 5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene?
The InChIKey is RPECZCYGIZYQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26F8O/c1-2-3-20-12-23-8-9-24(14-26(23)13-20)21-4-6-22(7-5-21)25-10-11-29(30(38)15-25)27-16-31(39)35(32(40)17-27)37(44,45)46-28-18-33(41)36(43)34(42)19-28/h4-11,14-20H,2-3,12-13H2,1H3.
What are the key properties of 5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene?
5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene has a molecular weight of 638.60 g/mol, XLogP of 11.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 134241699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).