1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole

C15H13F2N — CID 107514282

IUPAC1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole
SMILESCc1ccc(C2NCc3ccccc32)c(F)c1F
InChIInChI=1S/C15H13F2N/c1-9-6-7-12(14(17)13(9)16)15-11-5-3-2-4-10(11)8-18-15/h2-7,15,18H,8H2,1H3
InChIKeyCHMXMUNNHQOZGC-UHFFFAOYSA-N
MW245.27 g/mol
LogP3.47
Rot. Bonds1

About 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole

1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole (PubChem CID 107514282) has the molecular formula C15H13F2N and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole
PubChem CID107514282
Molecular FormulaC15H13F2N
Molecular Weight245.27 g/mol
Exact Mass245.10
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole
SMILESCc1ccc(C2NCc3ccccc32)c(F)c1F
InChIInChI=1S/C15H13F2N/c1-9-6-7-12(14(17)13(9)16)15-11-5-3-2-4-10(11)8-18-15/h2-7,15,18H,8H2,1H3
InChIKeyCHMXMUNNHQOZGC-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84735501
1-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole
CID 65046310
(1S)-1-fluoro-2,3-dihydro-1H-isoindole
CID 97110854
5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737138
2-(7-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84735718
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole
CID 84737209
1-(1-benzothiophen-7-yl)-2,3-dihydro-1H-isoindole
CID 81146996
8-(2,3-dihydro-1H-isoindol-1-yl)quinoline
CID 81224395
2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol
CID 65041820
5-(2,3-dihydro-1H-isoindol-1-yl)quinoline
CID 81224318
1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole
CID 54477887

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole (CID 107514282) is 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole is Cc1ccc(C2NCc3ccccc32)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole?
The InChIKey is CHMXMUNNHQOZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N/c1-9-6-7-12(14(17)13(9)16)15-11-5-3-2-4-10(11)8-18-15/h2-7,15,18H,8H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole?
1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole has a molecular weight of 245.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 107514282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).