1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole

C14H19FN2 — CID 103503437

IUPAC1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole
SMILESFc1ccc2c(c1)N(C1CCCCNC1)CC2
InChIInChI=1S/C14H19FN2/c15-12-5-4-11-6-8-17(14(11)9-12)13-3-1-2-7-16-10-13/h4-5,9,13,16H,1-3,6-8,10H2
InChIKeyPQABOASKMHFPLN-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.33
Rot. Bonds1

About 1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole

1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole (PubChem CID 103503437) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole
PubChem CID103503437
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole
SMILESFc1ccc2c(c1)N(C1CCCCNC1)CC2
InChIInChI=1S/C14H19FN2/c15-12-5-4-11-6-8-17(14(11)9-12)13-3-1-2-7-16-10-13/h4-5,9,13,16H,1-3,6-8,10H2
InChIKeyPQABOASKMHFPLN-UHFFFAOYSA-N
XLogP2.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-1-pyrrolidin-3-yl-2,3-dihydroindole
CID 103495858
6-fluoro-1-(2-methylpiperidin-4-yl)-2,3-dihydroindole
CID 103496394
4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol
CID 103495845
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
CID 67417842
1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
CID 53407976
2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile
CID 103495571
8-fluoro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
CID 58941055
(4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 11148681
3-(azepan-3-yl)-6-fluoroquinazolin-4-one
CID 117263920
4-piperidin-3-yl-2,3-dihydro-1H-quinoxaline
CID 117030821
4-cyclopentyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-1H-1,2,4-triazole-5-thione
CID 103501279
6-fluoro-1-(piperidin-2-ylmethylsulfonyl)-2,3-dihydroindole
CID 103498259

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole?
The IUPAC name of 1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole (CID 103503437) is 1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole is Fc1ccc2c(c1)N(C1CCCCNC1)CC2.
What is the InChIKey of 1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole?
The InChIKey is PQABOASKMHFPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-12-5-4-11-6-8-17(14(11)9-12)13-3-1-2-7-16-10-13/h4-5,9,13,16H,1-3,6-8,10H2.
What are the key properties of 1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole?
1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole has a molecular weight of 234.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole is sourced from PubChem (CID 103503437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).