6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole

C14H22FNO — CID 126747532

IUPAC6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole
SMILESCOCC(C)N1C(C)=C(C)C2CCC(F)=CC21
InChIInChI=1S/C14H22FNO/c1-9(8-17-4)16-11(3)10(2)13-6-5-12(15)7-14(13)16/h7,9,13-14H,5-6,8H2,1-4H3
InChIKeyARUGLHFVVPLQFW-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.26
Rot. Bonds3

About 6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole

6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole (PubChem CID 126747532) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole.

Molecular Properties

Compound Name6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole
PubChem CID126747532
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole
SMILESCOCC(C)N1C(C)=C(C)C2CCC(F)=CC21
InChIInChI=1S/C14H22FNO/c1-9(8-17-4)16-11(3)10(2)13-6-5-12(15)7-14(13)16/h7,9,13-14H,5-6,8H2,1-4H3
InChIKeyARUGLHFVVPLQFW-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Fluoro-1-(1-methoxypropan-2-yl)-2,3,3a,4-tetrahydroindole
CID 68342262
1-(2-methoxyethyl)-5-propan-2-yl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridine
CID 68342204
2-methoxy-N-methyl-N-[(6-methylcyclohexen-1-yl)methyl]ethanamine
CID 145141285
1-(2-methoxyethyl)-6-methyl-5-(2-methylbutan-2-yl)-3,6-dihydro-2H-pyridine
CID 153621654
N-(2-methoxyethyl)-N,4-dimethylcyclohexen-1-amine
CID 166088779

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole?
The IUPAC name of 6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole (CID 126747532) is 6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole.
What is the SMILES notation for 6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole?
The canonical SMILES for 6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole is COCC(C)N1C(C)=C(C)C2CCC(F)=CC21.
What is the InChIKey of 6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole?
The InChIKey is ARUGLHFVVPLQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-9(8-17-4)16-11(3)10(2)13-6-5-12(15)7-14(13)16/h7,9,13-14H,5-6,8H2,1-4H3.
What are the key properties of 6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole?
6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole has a molecular weight of 239.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(1-methoxypropan-2-yl)-2,3-dimethyl-3a,4,5,7a-tetrahydroindole is sourced from PubChem (CID 126747532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).