7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde

C20H18F2O — CID 176789425

IUPAC7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde
SMILESCc1cc(C=C(F)F)cc(C)c1-c1cc(C=O)cc2c1CCC2
InChIInChI=1S/C20H18F2O/c1-12-6-14(10-19(21)22)7-13(2)20(12)18-9-15(11-23)8-16-4-3-5-17(16)18/h6-11H,3-5H2,1-2H3
InChIKeyRCPNCDRYHQXVFL-UHFFFAOYSA-N
MW312.36 g/mol
LogP5.51
Rot. Bonds3

About 7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde

7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde (PubChem CID 176789425) has the molecular formula C20H18F2O and a molecular weight of 312.36 g/mol. Its IUPAC name is 7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde.

Molecular Properties

Compound Name7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde
PubChem CID176789425
Molecular FormulaC20H18F2O
Molecular Weight312.36 g/mol
Exact Mass312.13
IUPAC Name7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde
SMILESCc1cc(C=C(F)F)cc(C)c1-c1cc(C=O)cc2c1CCC2
InChIInChI=1S/C20H18F2O/c1-12-6-14(10-19(21)22)7-13(2)20(12)18-9-15(11-23)8-16-4-3-5-17(16)18/h6-11H,3-5H2,1-2H3
InChIKeyRCPNCDRYHQXVFL-UHFFFAOYSA-N
XLogP5.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.36
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde?
The IUPAC name of 7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde (CID 176789425) is 7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde.
What is the SMILES notation for 7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde?
The canonical SMILES for 7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde is Cc1cc(C=C(F)F)cc(C)c1-c1cc(C=O)cc2c1CCC2.
What is the InChIKey of 7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde?
The InChIKey is RCPNCDRYHQXVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2O/c1-12-6-14(10-19(21)22)7-13(2)20(12)18-9-15(11-23)8-16-4-3-5-17(16)18/h6-11H,3-5H2,1-2H3.
What are the key properties of 7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde?
7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde has a molecular weight of 312.36 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,2-difluoroethenyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-indene-5-carbaldehyde is sourced from PubChem (CID 176789425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).