5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene

C25H19ClF6O — CID 123148079

IUPAC5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene
SMILESCCCC1Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(Cl)c(F)c4)c(F)c3)cc2C1
InChIInChI=1S/C25H19ClF6O/c1-2-3-13-6-14-4-5-15(8-16(14)7-13)17-9-19(27)23(20(28)10-17)25(31,32)33-18-11-21(29)24(26)22(30)12-18/h4-5,8-13H,2-3,6-7H2,1H3
InChIKeyMPSJZIRDPRGLCN-UHFFFAOYSA-N
MW484.87 g/mol
LogP8.21
Rot. Bonds6

About 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene

5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene (PubChem CID 123148079) has the molecular formula C25H19ClF6O and a molecular weight of 484.87 g/mol. Its IUPAC name is 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene
PubChem CID123148079
Molecular FormulaC25H19ClF6O
Molecular Weight484.87 g/mol
Exact Mass484.10
IUPAC Name5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene
SMILESCCCC1Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(Cl)c(F)c4)c(F)c3)cc2C1
InChIInChI=1S/C25H19ClF6O/c1-2-3-13-6-14-4-5-15(8-16(14)7-13)17-9-19(27)23(20(28)10-17)25(31,32)33-18-11-21(29)24(26)22(30)12-18/h4-5,8-13H,2-3,6-7H2,1H3
InChIKeyMPSJZIRDPRGLCN-UHFFFAOYSA-N
XLogP8.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.87
LogP ≤ 58.21
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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Related Compounds

2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]-2,3-dihydro-1H-indene
CID 134429338
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-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene
CID 123135873
5-bromo-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-propyl-2,3-dihydro-1H-indene;[2-fluoro-4-(2-propyl-2,3-dihydro-1H-inden-5-yl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane)
CID 158396021
1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-4-propylcycloheptane
CID 118360369
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
4-[[2,6-difluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-2,6-difluorobenzonitrile
CID 20654222
2-chloro-5-[[2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]-difluoromethoxy]-1,3-difluorobenzene
CID 59329393
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]-5-(4-ethylphenyl)-1,3-difluorobenzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane
CID 159436323
[4-[[2,6-difluoro-4-(4-propylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane
CID 130462382
2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20653816

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene (CID 123148079) is 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene is CCCC1Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(Cl)c(F)c4)c(F)c3)cc2C1.
What is the InChIKey of 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene?
The InChIKey is MPSJZIRDPRGLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF6O/c1-2-3-13-6-14-4-5-15(8-16(14)7-13)17-9-19(27)23(20(28)10-17)25(31,32)33-18-11-21(29)24(26)22(30)12-18/h4-5,8-13H,2-3,6-7H2,1H3.
What are the key properties of 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene?
5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene has a molecular weight of 484.87 g/mol, XLogP of 8.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 123148079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).