5-bromo-1-[(3,4-difluorophenyl)methyl]indole

C15H10BrF2N — CID 116619662

IUPAC5-bromo-1-[(3,4-difluorophenyl)methyl]indole
SMILESFc1ccc(Cn2ccc3cc(Br)ccc32)cc1F
InChIInChI=1S/C15H10BrF2N/c16-12-2-4-15-11(8-12)5-6-19(15)9-10-1-3-13(17)14(18)7-10/h1-8H,9H2
InChIKeyNVPHBSSXIHMUJP-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.73
Rot. Bonds2

About 5-bromo-1-[(3,4-difluorophenyl)methyl]indole

5-bromo-1-[(3,4-difluorophenyl)methyl]indole (PubChem CID 116619662) has the molecular formula C15H10BrF2N and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-bromo-1-[(3,4-difluorophenyl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-[(3,4-difluorophenyl)methyl]indole
PubChem CID116619662
Molecular FormulaC15H10BrF2N
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name5-bromo-1-[(3,4-difluorophenyl)methyl]indole
SMILESFc1ccc(Cn2ccc3cc(Br)ccc32)cc1F
InChIInChI=1S/C15H10BrF2N/c16-12-2-4-15-11(8-12)5-6-19(15)9-10-1-3-13(17)14(18)7-10/h1-8H,9H2
InChIKeyNVPHBSSXIHMUJP-UHFFFAOYSA-N
XLogP4.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3,4-difluorophenyl)methyl]indole?
The IUPAC name of 5-bromo-1-[(3,4-difluorophenyl)methyl]indole (CID 116619662) is 5-bromo-1-[(3,4-difluorophenyl)methyl]indole.
What is the SMILES notation for 5-bromo-1-[(3,4-difluorophenyl)methyl]indole?
The canonical SMILES for 5-bromo-1-[(3,4-difluorophenyl)methyl]indole is Fc1ccc(Cn2ccc3cc(Br)ccc32)cc1F.
What is the InChIKey of 5-bromo-1-[(3,4-difluorophenyl)methyl]indole?
The InChIKey is NVPHBSSXIHMUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N/c16-12-2-4-15-11(8-12)5-6-19(15)9-10-1-3-13(17)14(18)7-10/h1-8H,9H2.
What are the key properties of 5-bromo-1-[(3,4-difluorophenyl)methyl]indole?
5-bromo-1-[(3,4-difluorophenyl)methyl]indole has a molecular weight of 322.15 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3,4-difluorophenyl)methyl]indole is sourced from PubChem (CID 116619662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).