5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole

C16H13F2NO — CID 104794968

IUPAC5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole
SMILESCOc1cccc(Cn2ccc3cc(F)ccc32)c1F
InChIInChI=1S/C16H13F2NO/c1-20-15-4-2-3-12(16(15)18)10-19-8-7-11-9-13(17)5-6-14(11)19/h2-9H,10H2,1H3
InChIKeyTYNZAYPDGXTNLS-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.98
Rot. Bonds3

About 5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole

5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole (PubChem CID 104794968) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole.

Molecular Properties

Compound Name5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole
PubChem CID104794968
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole
SMILESCOc1cccc(Cn2ccc3cc(F)ccc32)c1F
InChIInChI=1S/C16H13F2NO/c1-20-15-4-2-3-12(16(15)18)10-19-8-7-11-9-13(17)5-6-14(11)19/h2-9H,10H2,1H3
InChIKeyTYNZAYPDGXTNLS-UHFFFAOYSA-N
XLogP3.98
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
CID 63852001
1-[(2-fluoro-3-methoxyphenyl)methyl]indole-6-carbonitrile
CID 107917049
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline
CID 64768625
1-[(2-bromo-4-fluorophenyl)methyl]-5-fluoroindole
CID 63851490
1-[(2-methoxyphenyl)methyl]-5-nitroindole
CID 116619235
5-fluoro-1-(2-propan-2-yloxyethyl)indole
CID 55258510
[4-fluoro-2-[(5-methylindol-1-yl)methyl]phenyl]methanamine
CID 64764833
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole
CID 102620300
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole?
The IUPAC name of 5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole (CID 104794968) is 5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole.
What is the SMILES notation for 5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole?
The canonical SMILES for 5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole is COc1cccc(Cn2ccc3cc(F)ccc32)c1F.
What is the InChIKey of 5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole?
The InChIKey is TYNZAYPDGXTNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-20-15-4-2-3-12(16(15)18)10-19-8-7-11-9-13(17)5-6-14(11)19/h2-9H,10H2,1H3.
What are the key properties of 5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole?
5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole has a molecular weight of 273.28 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole is sourced from PubChem (CID 104794968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).