1-[(4-ethylphenyl)methyl]-4-fluoroindole

C17H16FN — CID 82792470

IUPAC1-[(4-ethylphenyl)methyl]-4-fluoroindole
SMILESCCc1ccc(Cn2ccc3c(F)cccc32)cc1
InChIInChI=1S/C17H16FN/c1-2-13-6-8-14(9-7-13)12-19-11-10-15-16(18)4-3-5-17(15)19/h3-11H,2,12H2,1H3
InChIKeyCUGGROZPCGTCMD-UHFFFAOYSA-N
MW253.32 g/mol
LogP4.39
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]-4-fluoroindole

1-[(4-ethylphenyl)methyl]-4-fluoroindole (PubChem CID 82792470) has the molecular formula C17H16FN and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-fluoroindole.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-fluoroindole
PubChem CID82792470
Molecular FormulaC17H16FN
Molecular Weight253.32 g/mol
Exact Mass253.13
IUPAC Name1-[(4-ethylphenyl)methyl]-4-fluoroindole
SMILESCCc1ccc(Cn2ccc3c(F)cccc32)cc1
InChIInChI=1S/C17H16FN/c1-2-13-6-8-14(9-7-13)12-19-11-10-15-16(18)4-3-5-17(15)19/h3-11H,2,12H2,1H3
InChIKeyCUGGROZPCGTCMD-UHFFFAOYSA-N
XLogP4.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromophenyl)methyl]-4-fluoroindole
CID 82793563
1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole
CID 82795364
4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole
CID 114084739
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793448
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole
CID 107887790
4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
CID 82792719
4-fluoro-1-(2-methylpentyl)indole
CID 82793876
methyl 2-[(4-fluoroindol-1-yl)methyl]benzoate
CID 82956923
4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole
CID 82795063
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167
4-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116625944

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-fluoroindole?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-fluoroindole (CID 82792470) is 1-[(4-ethylphenyl)methyl]-4-fluoroindole.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-fluoroindole?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-fluoroindole is CCc1ccc(Cn2ccc3c(F)cccc32)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-fluoroindole?
The InChIKey is CUGGROZPCGTCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN/c1-2-13-6-8-14(9-7-13)12-19-11-10-15-16(18)4-3-5-17(15)19/h3-11H,2,12H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-fluoroindole?
1-[(4-ethylphenyl)methyl]-4-fluoroindole has a molecular weight of 253.32 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-4-fluoroindole is sourced from PubChem (CID 82792470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).