7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole

C17H24FNO — CID 114624523

IUPAC7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC1(C)CC(C(F)c2cccc3c2NCC3)C(C)(C)O1
InChIInChI=1S/C17H24FNO/c1-16(2)10-13(17(3,4)20-16)14(18)12-7-5-6-11-8-9-19-15(11)12/h5-7,13-14,19H,8-10H2,1-4H3
InChIKeyAFEAAQCEIGKFPU-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.26
Rot. Bonds2

About 7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole

7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 114624523) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID114624523
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC1(C)CC(C(F)c2cccc3c2NCC3)C(C)(C)O1
InChIInChI=1S/C17H24FNO/c1-16(2)10-13(17(3,4)20-16)14(18)12-7-5-6-11-8-9-19-15(11)12/h5-7,13-14,19H,8-10H2,1-4H3
InChIKeyAFEAAQCEIGKFPU-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole
CID 107138259
(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622019
7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole
CID 113394357
7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 116507150
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622122
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815
2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 115838834
7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 104545426
7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 113394348
7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 106647083
7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 102648261

Frequently Asked Questions

What is the IUPAC name of 7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole (CID 114624523) is 7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole is CC1(C)CC(C(F)c2cccc3c2NCC3)C(C)(C)O1.
What is the InChIKey of 7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is AFEAAQCEIGKFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-16(2)10-13(17(3,4)20-16)14(18)12-7-5-6-11-8-9-19-15(11)12/h5-7,13-14,19H,8-10H2,1-4H3.
What are the key properties of 7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole?
7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 277.38 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114624523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).