7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole

C19H20FN — CID 116507150

IUPAC7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
SMILESFC(c1ccc(C2CCC2)cc1)c1cccc2c1NCC2
InChIInChI=1S/C19H20FN/c20-18(17-6-2-5-16-11-12-21-19(16)17)15-9-7-14(8-10-15)13-3-1-4-13/h2,5-10,13,18,21H,1,3-4,11-12H2
InChIKeyJRPVXVGAKNPPBI-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.98
Rot. Bonds3

About 7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole

7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole (PubChem CID 116507150) has the molecular formula C19H20FN and a molecular weight of 281.37 g/mol. Its IUPAC name is 7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
PubChem CID116507150
Molecular FormulaC19H20FN
Molecular Weight281.37 g/mol
Exact Mass281.16
IUPAC Name7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
SMILESFC(c1ccc(C2CCC2)cc1)c1cccc2c1NCC2
InChIInChI=1S/C19H20FN/c20-18(17-6-2-5-16-11-12-21-19(16)17)15-9-7-14(8-10-15)13-3-1-4-13/h2,5-10,13,18,21H,1,3-4,11-12H2
InChIKeyJRPVXVGAKNPPBI-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 114523652
7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 104545426
7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 102648261
7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole
CID 107138259
7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 113394348
7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole
CID 114624523
7-cyclohexyloxy-2,3-dihydro-1H-indole
CID 115074855
(2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol
CID 55278047
(3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 116505775
7-(1-fluoro-2-pyridin-4-ylethyl)-2,3-dihydro-1H-indole
CID 113394346
7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole
CID 97056641
3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol
CID 80648400

Frequently Asked Questions

What is the IUPAC name of 7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole (CID 116507150) is 7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole is FC(c1ccc(C2CCC2)cc1)c1cccc2c1NCC2.
What is the InChIKey of 7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole?
The InChIKey is JRPVXVGAKNPPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN/c20-18(17-6-2-5-16-11-12-21-19(16)17)15-9-7-14(8-10-15)13-3-1-4-13/h2,5-10,13,18,21H,1,3-4,11-12H2.
What are the key properties of 7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole?
7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole has a molecular weight of 281.37 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 116507150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).