2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole

C15H10F5N — CID 5187034

IUPAC2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFc1ccc(C2Cc3cc(C(F)(F)F)ccc3N2)cc1F
InChIInChI=1S/C15H10F5N/c16-11-3-1-8(6-12(11)17)14-7-9-5-10(15(18,19)20)2-4-13(9)21-14/h1-6,14,21H,7H2
InChIKeyPDDRCLHYDBFBPA-UHFFFAOYSA-N
MW299.24 g/mol
LogP4.69
Rot. Bonds1

About 2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole

2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 5187034) has the molecular formula C15H10F5N and a molecular weight of 299.24 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID5187034
Molecular FormulaC15H10F5N
Molecular Weight299.24 g/mol
Exact Mass299.07
IUPAC Name2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFc1ccc(C2Cc3cc(C(F)(F)F)ccc3N2)cc1F
InChIInChI=1S/C15H10F5N/c16-11-3-1-8(6-12(11)17)14-7-9-5-10(15(18,19)20)2-4-13(9)21-14/h1-6,14,21H,7H2
InChIKeyPDDRCLHYDBFBPA-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 5187034) is 2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole is Fc1ccc(C2Cc3cc(C(F)(F)F)ccc3N2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is PDDRCLHYDBFBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N/c16-11-3-1-8(6-12(11)17)14-7-9-5-10(15(18,19)20)2-4-13(9)21-14/h1-6,14,21H,7H2.
What are the key properties of 2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 299.24 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 5187034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).