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

C15H13F2N — CID 3662859

IUPAC5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cc(F)cc(F)c3N2)cc1
InChIInChI=1S/C15H13F2N/c1-9-2-4-10(5-3-9)14-7-11-6-12(16)8-13(17)15(11)18-14/h2-6,8,14,18H,7H2,1H3
InChIKeyCBEYTWKZFLQOTR-UHFFFAOYSA-N
MW245.27 g/mol
LogP3.98
Rot. Bonds1

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

5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole (PubChem CID 3662859) has the molecular formula C15H13F2N and a molecular weight of 245.27 g/mol. Its IUPAC name is 5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole
PubChem CID3662859
Molecular FormulaC15H13F2N
Molecular Weight245.27 g/mol
Exact Mass245.10
IUPAC Name5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cc(F)cc(F)c3N2)cc1
InChIInChI=1S/C15H13F2N/c1-9-2-4-10(5-3-9)14-7-11-6-12(16)8-13(17)15(11)18-14/h2-6,8,14,18H,7H2,1H3
InChIKeyCBEYTWKZFLQOTR-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,7-difluoro-2-(4-fluorophenyl)-2,3-dihydro-1H-indole
CID 3306331
5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 4013983
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
5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 4311958
6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4666905
ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate
CID 131512991
5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole
CID 89032198
4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 5150094
5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4030733
2-(4-fluorophenyl)-2,3-dihydro-1H-indol-5-ol
CID 84692622
(3R)-3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 826427

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole (CID 3662859) is 5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole is Cc1ccc(C2Cc3cc(F)cc(F)c3N2)cc1.
What is the InChIKey of 5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is CBEYTWKZFLQOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N/c1-9-2-4-10(5-3-9)14-7-11-6-12(16)8-13(17)15(11)18-14/h2-6,8,14,18H,7H2,1H3.
What are the key properties of 5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole?
5,7-difluoro-2-(4-methylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 245.27 g/mol, XLogP of 3.98, 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-methylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3662859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).