1-[(2,3,6-trifluorophenyl)methyl]indole

C15H10F3N — CID 22256789

IUPAC1-[(2,3,6-trifluorophenyl)methyl]indole
SMILESFc1ccc(F)c(Cn2ccc3ccccc32)c1F
InChIInChI=1S/C15H10F3N/c16-12-5-6-13(17)15(18)11(12)9-19-8-7-10-3-1-2-4-14(10)19/h1-8H,9H2
InChIKeyVRMZPGYKTMMXHJ-UHFFFAOYSA-N
MW261.25 g/mol
LogP4.11
Rot. Bonds2

About 1-[(2,3,6-trifluorophenyl)methyl]indole

1-[(2,3,6-trifluorophenyl)methyl]indole (PubChem CID 22256789) has the molecular formula C15H10F3N and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-[(2,3,6-trifluorophenyl)methyl]indole.

Molecular Properties

Compound Name1-[(2,3,6-trifluorophenyl)methyl]indole
PubChem CID22256789
Molecular FormulaC15H10F3N
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name1-[(2,3,6-trifluorophenyl)methyl]indole
SMILESFc1ccc(F)c(Cn2ccc3ccccc32)c1F
InChIInChI=1S/C15H10F3N/c16-12-5-6-13(17)15(18)11(12)9-19-8-7-10-3-1-2-4-14(10)19/h1-8H,9H2
InChIKeyVRMZPGYKTMMXHJ-UHFFFAOYSA-N
XLogP4.11
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2,6-difluorophenyl)methyl]indole
CID 22256904
1-[[3,5-bis(indol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]indole
CID 102177432
2-(indol-1-ylmethyl)benzene-1,3-diamine
CID 141087878
1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoroindole
CID 106270507
2-fluoro-3-(indol-1-ylmethyl)aniline
CID 107347629
1-(3-fluoropropyl)indole
CID 81113690
1-(2-fluoroethyl)indole
CID 80694500
1-(pyrimidin-2-ylmethyl)indole
CID 63810960
1-[(1-methylpyridin-1-ium-4-yl)methyl]indole
CID 71418458
1-[(3-bromo-2,6-difluorophenyl)methyl]indole-5-carbonitrile
CID 106266361
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818
3-fluoro-4-(indol-1-ylmethyl)benzamide
CID 63810466

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,6-trifluorophenyl)methyl]indole?
The IUPAC name of 1-[(2,3,6-trifluorophenyl)methyl]indole (CID 22256789) is 1-[(2,3,6-trifluorophenyl)methyl]indole.
What is the SMILES notation for 1-[(2,3,6-trifluorophenyl)methyl]indole?
The canonical SMILES for 1-[(2,3,6-trifluorophenyl)methyl]indole is Fc1ccc(F)c(Cn2ccc3ccccc32)c1F.
What is the InChIKey of 1-[(2,3,6-trifluorophenyl)methyl]indole?
The InChIKey is VRMZPGYKTMMXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N/c16-12-5-6-13(17)15(18)11(12)9-19-8-7-10-3-1-2-4-14(10)19/h1-8H,9H2.
What are the key properties of 1-[(2,3,6-trifluorophenyl)methyl]indole?
1-[(2,3,6-trifluorophenyl)methyl]indole has a molecular weight of 261.25 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,6-trifluorophenyl)methyl]indole is sourced from PubChem (CID 22256789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).