5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole

C14H10F3N — CID 3306331

IUPAC5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole
SMILESFc1ccc(C2Cc3cc(F)cc(F)c3N2)cc1
InChIInChI=1S/C14H10F3N/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13/h1-5,7,13,18H,6H2
InChIKeyBMTJKKMCXLIPEX-UHFFFAOYSA-N
MW249.24 g/mol
LogP3.81
Rot. Bonds1

About 5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole

5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole (PubChem CID 3306331) has the molecular formula C14H10F3N and a molecular weight of 249.24 g/mol. Its IUPAC name is 5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole
PubChem CID3306331
Molecular FormulaC14H10F3N
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole
SMILESFc1ccc(C2Cc3cc(F)cc(F)c3N2)cc1
InChIInChI=1S/C14H10F3N/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13/h1-5,7,13,18H,6H2
InChIKeyBMTJKKMCXLIPEX-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 3662859
2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole
CID 3247891
5,7-difluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole
CID 3637452
5-chloro-2-(3,4-dichlorophenyl)-7-fluoro-2,3-dihydro-1H-indole
CID 4045651
2-(4-fluorophenyl)-2,3-dihydro-1H-indol-5-ol
CID 84692622
5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 4013983
S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine
CID 170390923
ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate
CID 131512991
6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4666905
5-chloro-7-fluoro-2-pyridin-2-yl-2,3-dihydro-1H-indole
CID 3427324
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
(5R)-5-(4-fluorophenyl)pyrrolidin-2-one
CID 13293374

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole (CID 3306331) is 5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole is Fc1ccc(C2Cc3cc(F)cc(F)c3N2)cc1.
What is the InChIKey of 5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole?
The InChIKey is BMTJKKMCXLIPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13/h1-5,7,13,18H,6H2.
What are the key properties of 5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole?
5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole has a molecular weight of 249.24 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3306331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).