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

C14H11ClFN — CID 116698400

IUPAC4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
SMILESFc1cc(Cl)cc(-c2cccc3c2CCN3)c1
InChIInChI=1S/C14H11ClFN/c15-10-6-9(7-11(16)8-10)12-2-1-3-14-13(12)4-5-17-14/h1-3,6-8,17H,4-5H2
InChIKeyRWMWHHYLBBLQDM-UHFFFAOYSA-N
MW247.70 g/mol
LogP4.11
Rot. Bonds1

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

4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole (PubChem CID 116698400) has the molecular formula C14H11ClFN and a molecular weight of 247.70 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
PubChem CID116698400
Molecular FormulaC14H11ClFN
Molecular Weight247.70 g/mol
Exact Mass247.06
IUPAC Name4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
SMILESFc1cc(Cl)cc(-c2cccc3c2CCN3)c1
InChIInChI=1S/C14H11ClFN/c15-10-6-9(7-11(16)8-10)12-2-1-3-14-13(12)4-5-17-14/h1-3,6-8,17H,4-5H2
InChIKeyRWMWHHYLBBLQDM-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 107289624
4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole
CID 116698397
4-naphthalen-2-yl-2,3-dihydro-1H-indole
CID 116698319
4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 116698337
4-(1,3-dihydro-2-benzofuran-5-yl)-2,3-dihydro-1H-indole
CID 116698575
3-(2,3-dihydro-1H-indol-4-yl)quinoline
CID 116698310
4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole
CID 114731967
4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 116698622
4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698328
4-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-indole
CID 116698343
3-(3-chloro-5-fluorophenyl)-1H-pyridin-2-one
CID 53217879
4-(4-cyclohexylphenyl)-2,3-dihydro-1H-indole
CID 116698555

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole (CID 116698400) is 4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole is Fc1cc(Cl)cc(-c2cccc3c2CCN3)c1.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole?
The InChIKey is RWMWHHYLBBLQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN/c15-10-6-9(7-11(16)8-10)12-2-1-3-14-13(12)4-5-17-14/h1-3,6-8,17H,4-5H2.
What are the key properties of 4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole?
4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole has a molecular weight of 247.70 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).