1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone

C17H14FNO — CID 1088521

IUPAC1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C17H14FNO/c1-12(20)16-11-19(17-5-3-2-4-15(16)17)10-13-6-8-14(18)9-7-13/h2-9,11H,10H2,1H3
InChIKeyNNFLDMKXJVUQQX-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.03
Rot. Bonds3

About 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone

1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone (PubChem CID 1088521) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone
PubChem CID1088521
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C17H14FNO/c1-12(20)16-11-19(17-5-3-2-4-15(16)17)10-13-6-8-14(18)9-7-13/h2-9,11H,10H2,1H3
InChIKeyNNFLDMKXJVUQQX-UHFFFAOYSA-N
XLogP4.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone (CID 1088521) is 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone is CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone?
The InChIKey is NNFLDMKXJVUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-12(20)16-11-19(17-5-3-2-4-15(16)17)10-13-6-8-14(18)9-7-13/h2-9,11H,10H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone?
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone has a molecular weight of 267.30 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone is sourced from PubChem (CID 1088521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).