2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole

C14H9Cl2F2N — CID 3247891

IUPAC2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole
SMILESFc1cc(F)c2c(c1)CC(c1cc(Cl)ccc1Cl)N2
InChIInChI=1S/C14H9Cl2F2N/c15-8-1-2-11(16)10(5-8)13-4-7-3-9(17)6-12(18)14(7)19-13/h1-3,5-6,13,19H,4H2
InChIKeyUIVAJNXXXLETLW-UHFFFAOYSA-N
MW300.14 g/mol
LogP4.98
Rot. Bonds1

About 2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole

2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole (PubChem CID 3247891) has the molecular formula C14H9Cl2F2N and a molecular weight of 300.14 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole
PubChem CID3247891
Molecular FormulaC14H9Cl2F2N
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole
SMILESFc1cc(F)c2c(c1)CC(c1cc(Cl)ccc1Cl)N2
InChIInChI=1S/C14H9Cl2F2N/c15-8-1-2-11(16)10(5-8)13-4-7-3-9(17)6-12(18)14(7)19-13/h1-3,5-6,13,19H,4H2
InChIKeyUIVAJNXXXLETLW-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole (CID 3247891) is 2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole is Fc1cc(F)c2c(c1)CC(c1cc(Cl)ccc1Cl)N2.
What is the InChIKey of 2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole?
The InChIKey is UIVAJNXXXLETLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2N/c15-8-1-2-11(16)10(5-8)13-4-7-3-9(17)6-12(18)14(7)19-13/h1-3,5-6,13,19H,4H2.
What are the key properties of 2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole?
2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole has a molecular weight of 300.14 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 3247891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).