4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole

C15H14FN — CID 116698397

IUPAC4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(-c2cccc3c2CCN3)cc1F
InChIInChI=1S/C15H14FN/c1-10-5-6-11(9-14(10)16)12-3-2-4-15-13(12)7-8-17-15/h2-6,9,17H,7-8H2,1H3
InChIKeyREYIONUFJFYOCW-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.77
Rot. Bonds1

About 4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole

4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole (PubChem CID 116698397) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole
PubChem CID116698397
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(-c2cccc3c2CCN3)cc1F
InChIInChI=1S/C15H14FN/c1-10-5-6-11(9-14(10)16)12-3-2-4-15-13(12)7-8-17-15/h2-6,9,17H,7-8H2,1H3
InChIKeyREYIONUFJFYOCW-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 116698337
4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 107289624
4-naphthalen-2-yl-2,3-dihydro-1H-indole
CID 116698319
4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
CID 116698400
4-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-indole
CID 116698343
4-(1,3-dihydro-2-benzofuran-5-yl)-2,3-dihydro-1H-indole
CID 116698575
4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole
CID 114731967
4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698328
4-(4-cyclohexylphenyl)-2,3-dihydro-1H-indole
CID 116698555
3-(2,3-dihydro-1H-indol-4-yl)quinoline
CID 116698310
6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole
CID 116698427
3-(3-fluoro-4-methylphenyl)-1H-pyridin-2-one
CID 53217607

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole (CID 116698397) is 4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole is Cc1ccc(-c2cccc3c2CCN3)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is REYIONUFJFYOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c1-10-5-6-11(9-14(10)16)12-3-2-4-15-13(12)7-8-17-15/h2-6,9,17H,7-8H2,1H3.
What are the key properties of 4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole?
4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 227.28 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).