4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline

C15H12F2N2 — CID 43443827

IUPAC4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
SMILESNc1ccc(F)cc1Cn1ccc2ccc(F)cc21
InChIInChI=1S/C15H12F2N2/c16-12-3-4-14(18)11(7-12)9-19-6-5-10-1-2-13(17)8-15(10)19/h1-8H,9,18H2
InChIKeyLMRDTOROGHHCRO-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.55
Rot. Bonds2

About 4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline

4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline (PubChem CID 43443827) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
PubChem CID43443827
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
SMILESNc1ccc(F)cc1Cn1ccc2ccc(F)cc21
InChIInChI=1S/C15H12F2N2/c16-12-3-4-14(18)11(7-12)9-19-6-5-10-1-2-13(17)8-15(10)19/h1-8H,9,18H2
InChIKeyLMRDTOROGHHCRO-UHFFFAOYSA-N
XLogP3.55
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline (CID 43443827) is 4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline is Nc1ccc(F)cc1Cn1ccc2ccc(F)cc21.
What is the InChIKey of 4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline?
The InChIKey is LMRDTOROGHHCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c16-12-3-4-14(18)11(7-12)9-19-6-5-10-1-2-13(17)8-15(10)19/h1-8H,9,18H2.
What are the key properties of 4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline?
4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline has a molecular weight of 258.27 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline is sourced from PubChem (CID 43443827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).