2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene

C19H14F6O — CID 87664176

IUPAC2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene
SMILESC=CCOc1cc2c(c(F)c1F)C(F)(F)C(c1ccc(C)c(F)c1F)C2
InChIInChI=1S/C19H14F6O/c1-3-6-26-13-8-10-7-12(11-5-4-9(2)15(20)16(11)21)19(24,25)14(10)18(23)17(13)22/h3-5,8,12H,1,6-7H2,2H3
InChIKeyWIQRDZPKPPVURQ-UHFFFAOYSA-N
MW372.31 g/mol
LogP5.55
Rot. Bonds4

About 2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene

2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene (PubChem CID 87664176) has the molecular formula C19H14F6O and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene
PubChem CID87664176
Molecular FormulaC19H14F6O
Molecular Weight372.31 g/mol
Exact Mass372.09
IUPAC Name2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene
SMILESC=CCOc1cc2c(c(F)c1F)C(F)(F)C(c1ccc(C)c(F)c1F)C2
InChIInChI=1S/C19H14F6O/c1-3-6-26-13-8-10-7-12(11-5-4-9(2)15(20)16(11)21)19(24,25)14(10)18(23)17(13)22/h3-5,8,12H,1,6-7H2,2H3
InChIKeyWIQRDZPKPPVURQ-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.31
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(2,3-difluoro-1-methyl-4-[(Z)-pent-2-enoxy]benzene);2,3-difluoro-1-methyl-4-prop-2-enoxybenzene
CID 157453957
5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane
CID 58141301
1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 126759194
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 163533849
3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene
CID 59658583
2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)cyclohexyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118593950
2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene
CID 153282338
2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870126
7-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,8-trifluoro-3-prop-2-enoxynaphthalene
CID 20807455
3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene
CID 126591053

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene?
The IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene (CID 87664176) is 2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene.
What is the SMILES notation for 2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene?
The canonical SMILES for 2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene is C=CCOc1cc2c(c(F)c1F)C(F)(F)C(c1ccc(C)c(F)c1F)C2.
What is the InChIKey of 2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene?
The InChIKey is WIQRDZPKPPVURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6O/c1-3-6-26-13-8-10-7-12(11-5-4-9(2)15(20)16(11)21)19(24,25)14(10)18(23)17(13)22/h3-5,8,12H,1,6-7H2,2H3.
What are the key properties of 2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene?
2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene has a molecular weight of 372.31 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methylphenyl)-3,3,4,5-tetrafluoro-6-prop-2-enoxy-1,2-dihydroindene is sourced from PubChem (CID 87664176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).