5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene

C25H20ClF5O — CID 123135873

IUPAC5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene
SMILESCCc1cc(-c2ccc3c(c2)CC(C)C3)cc(F)c1C(F)(F)Oc1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C25H20ClF5O/c1-3-14-8-18(16-5-4-15-6-13(2)7-17(15)9-16)10-20(27)23(14)25(30,31)32-19-11-21(28)24(26)22(29)12-19/h4-5,8-13H,3,6-7H2,1-2H3
InChIKeyIXQDNEKSIXKYLI-UHFFFAOYSA-N
MW466.88 g/mol
LogP7.85
Rot. Bonds5

About 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene

5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene (PubChem CID 123135873) has the molecular formula C25H20ClF5O and a molecular weight of 466.88 g/mol. Its IUPAC name is 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene
PubChem CID123135873
Molecular FormulaC25H20ClF5O
Molecular Weight466.88 g/mol
Exact Mass466.11
IUPAC Name5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene
SMILESCCc1cc(-c2ccc3c(c2)CC(C)C3)cc(F)c1C(F)(F)Oc1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C25H20ClF5O/c1-3-14-8-18(16-5-4-15-6-13(2)7-17(15)9-16)10-20(27)23(14)25(30,31)32-19-11-21(28)24(26)22(29)12-19/h4-5,8-13H,3,6-7H2,1-2H3
InChIKeyIXQDNEKSIXKYLI-UHFFFAOYSA-N
XLogP7.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 57.85
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

5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene
CID 123148079
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-(3-fluoro-4-methylphenyl)-2-methyl-2,3-dihydro-1H-indene
CID 22899633
5-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-1,2-difluoroethenyl]-2-methyl-2,3-dihydro-1H-indene
CID 123207647
2-chloro-5-[[2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]-difluoromethoxy]-1,3-difluorobenzene
CID 59329393
2-(4-chloro-3-fluorophenyl)-5-[[2,6-difluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluorobenzene
CID 59328870
5-[[4-(4-butylphenyl)-2-chloro-6-fluorophenyl]-difluoromethoxy]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene
CID 59583236
5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorocyclohexa-1,3-dien-1-yl]-5-fluorocyclohexa-1,3-dien-1-yl]-2-methyl-2,3-dihydro-1H-indene
CID 134479594
2-[4-[4-[[3,5-difluoro-4-(2-fluoroethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-methyloxane
CID 144978966
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 20654145
5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-2,3-dihydro-1H-indene
CID 118687154

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene (CID 123135873) is 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene is CCc1cc(-c2ccc3c(c2)CC(C)C3)cc(F)c1C(F)(F)Oc1cc(F)c(Cl)c(F)c1.
What is the InChIKey of 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene?
The InChIKey is IXQDNEKSIXKYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF5O/c1-3-14-8-18(16-5-4-15-6-13(2)7-17(15)9-16)10-20(27)23(14)25(30,31)32-19-11-21(28)24(26)22(29)12-19/h4-5,8-13H,3,6-7H2,1-2H3.
What are the key properties of 5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene?
5-[4-[(4-chloro-3,5-difluorophenoxy)-difluoromethyl]-3-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene has a molecular weight of 466.88 g/mol, XLogP of 7.85, 5 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-ethyl-5-fluorophenyl]-2-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 123135873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).