5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene

C26H22F4O — CID 118687153

IUPAC5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene
SMILESCCCC1Cc2ccc(-c3ccc(-c4cc(F)c(OC=C(F)F)c(F)c4)cc3)cc2C1
InChIInChI=1S/C26H22F4O/c1-2-3-16-10-19-8-9-20(12-21(19)11-16)17-4-6-18(7-5-17)22-13-23(27)26(24(28)14-22)31-15-25(29)30/h4-9,12-16H,2-3,10-11H2,1H3
InChIKeyPPZWVNWZLZBBQO-UHFFFAOYSA-N
MW426.45 g/mol
LogP7.93
Rot. Bonds6

About 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene

5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene (PubChem CID 118687153) has the molecular formula C26H22F4O and a molecular weight of 426.45 g/mol. Its IUPAC name is 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene
PubChem CID118687153
Molecular FormulaC26H22F4O
Molecular Weight426.45 g/mol
Exact Mass426.16
IUPAC Name5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene
SMILESCCCC1Cc2ccc(-c3ccc(-c4cc(F)c(OC=C(F)F)c(F)c4)cc3)cc2C1
InChIInChI=1S/C26H22F4O/c1-2-3-16-10-19-8-9-20(12-21(19)11-16)17-4-6-18(7-5-17)22-13-23(27)26(24(28)14-22)31-15-25(29)30/h4-9,12-16H,2-3,10-11H2,1H3
InChIKeyPPZWVNWZLZBBQO-UHFFFAOYSA-N
XLogP7.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.45
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene (CID 118687153) is 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene is CCCC1Cc2ccc(-c3ccc(-c4cc(F)c(OC=C(F)F)c(F)c4)cc3)cc2C1.
What is the InChIKey of 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene?
The InChIKey is PPZWVNWZLZBBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4O/c1-2-3-16-10-19-8-9-20(12-21(19)11-16)17-4-6-18(7-5-17)22-13-23(27)26(24(28)14-22)31-15-25(29)30/h4-9,12-16H,2-3,10-11H2,1H3.
What are the key properties of 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene?
5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene has a molecular weight of 426.45 g/mol, XLogP of 7.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 118687153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).