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

C15H10BrF2N — CID 105409253

IUPAC5-bromo-1-[(3,5-difluorophenyl)methyl]indole
SMILESFc1cc(F)cc(Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C15H10BrF2N/c16-12-1-2-15-11(7-12)3-4-19(15)9-10-5-13(17)8-14(18)6-10/h1-8H,9H2
InChIKeyNINNPPYQDSWNHY-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.73
Rot. Bonds2

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

5-bromo-1-[(3,5-difluorophenyl)methyl]indole (PubChem CID 105409253) has the molecular formula C15H10BrF2N and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-bromo-1-[(3,5-difluorophenyl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-[(3,5-difluorophenyl)methyl]indole
PubChem CID105409253
Molecular FormulaC15H10BrF2N
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name5-bromo-1-[(3,5-difluorophenyl)methyl]indole
SMILESFc1cc(F)cc(Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C15H10BrF2N/c16-12-1-2-15-11(7-12)3-4-19(15)9-10-5-13(17)8-14(18)6-10/h1-8H,9H2
InChIKeyNINNPPYQDSWNHY-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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Related Compounds

5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine
CID 79709523
5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041480
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620287
5-bromo-2-[(5-fluoroindol-1-yl)methyl]aniline
CID 114380593
5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 116619723
4-[(5-bromoindol-1-yl)methyl]benzoic acid
CID 4576218
4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile
CID 116619511
2-bromo-5-[(5-fluoroindol-1-yl)methyl]aniline
CID 115557370

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3,5-difluorophenyl)methyl]indole?
The IUPAC name of 5-bromo-1-[(3,5-difluorophenyl)methyl]indole (CID 105409253) is 5-bromo-1-[(3,5-difluorophenyl)methyl]indole.
What is the SMILES notation for 5-bromo-1-[(3,5-difluorophenyl)methyl]indole?
The canonical SMILES for 5-bromo-1-[(3,5-difluorophenyl)methyl]indole is Fc1cc(F)cc(Cn2ccc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-1-[(3,5-difluorophenyl)methyl]indole?
The InChIKey is NINNPPYQDSWNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N/c16-12-1-2-15-11(7-12)3-4-19(15)9-10-5-13(17)8-14(18)6-10/h1-8H,9H2.
What are the key properties of 5-bromo-1-[(3,5-difluorophenyl)methyl]indole?
5-bromo-1-[(3,5-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-[(3,5-difluorophenyl)methyl]indole is sourced from PubChem (CID 105409253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).