1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole

C15H13BrFN — CID 103501587

IUPAC1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
SMILESFc1ccc2c(c1)N(Cc1ccc(Br)cc1)CC2
InChIInChI=1S/C15H13BrFN/c16-13-4-1-11(2-5-13)10-18-8-7-12-3-6-14(17)9-15(12)18/h1-6,9H,7-8,10H2
InChIKeyOQKTVRKCCFZISM-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.15
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole

1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole (PubChem CID 103501587) has the molecular formula C15H13BrFN and a molecular weight of 306.18 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
PubChem CID103501587
Molecular FormulaC15H13BrFN
Molecular Weight306.18 g/mol
Exact Mass305.02
IUPAC Name1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
SMILESFc1ccc2c(c1)N(Cc1ccc(Br)cc1)CC2
InChIInChI=1S/C15H13BrFN/c16-13-4-1-11(2-5-13)10-18-8-7-12-3-6-14(17)9-15(12)18/h1-6,9H,7-8,10H2
InChIKeyOQKTVRKCCFZISM-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ver-3323
CID 6604042
5-Bromo-2-(3-methylphenyl)isoindoline
CID 900123
5-bromo-1-methyl-2,3-dihydro-1H-indole
CID 19361435
2-(4-Fluorophenyl)isoindoline
CID 955436
6-Bromo-2,3-dihydro-1H-indole
CID 13098379
4-Bromo-2,3-dihydro-1-methyl-1H-indole
CID 13098388
5-bromo-1-ethyl-2,3-dihydro-1H-indole
CID 57607116
6-Bromo-4-fluoro-2,3-dihydro-1H-indole
CID 83886924
1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride
CID 155543899
1-Benzylindoline
CID 10805096
1H-Indole, 5-bromo-2,3-dihydro-1-(phenylmethyl)-
CID 11011653
1-(6-Bromo-2,3-dihydroindol-1-yl)propan-2-amine
CID 18735337

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole (CID 103501587) is 1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole is Fc1ccc2c(c1)N(Cc1ccc(Br)cc1)CC2.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole?
The InChIKey is OQKTVRKCCFZISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN/c16-13-4-1-11(2-5-13)10-18-8-7-12-3-6-14(17)9-15(12)18/h1-6,9H,7-8,10H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole?
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole has a molecular weight of 306.18 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole is sourced from PubChem (CID 103501587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).