(3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole

C16H23FN2 — CID 154987733

IUPAC(3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole
SMILESC[C@@H]1Cc2c([nH]c3c2=CCCC=3)CN1CC(C)(C)F
InChIInChI=1S/C16H23FN2/c1-11-8-13-12-6-4-5-7-14(12)18-15(13)9-19(11)10-16(2,3)17/h6-7,11,18H,4-5,8-10H2,1-3H3/t11-/m1/s1
InChIKeyMEMVUIOBVYPJFB-LLVKDONJSA-N
MW262.37 g/mol
LogP1.86
Rot. Bonds2

About (3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole

(3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole (PubChem CID 154987733) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is (3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name(3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole
PubChem CID154987733
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name(3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole
SMILESC[C@@H]1Cc2c([nH]c3c2=CCCC=3)CN1CC(C)(C)F
InChIInChI=1S/C16H23FN2/c1-11-8-13-12-6-4-5-7-14(12)18-15(13)9-19(11)10-16(2,3)17/h6-7,11,18H,4-5,8-10H2,1-3H3/t11-/m1/s1
InChIKeyMEMVUIOBVYPJFB-LLVKDONJSA-N
XLogP1.86
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole?
The IUPAC name of (3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole (CID 154987733) is (3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole.
What is the SMILES notation for (3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole?
The canonical SMILES for (3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole is C[C@@H]1Cc2c([nH]c3c2=CCCC=3)CN1CC(C)(C)F.
What is the InChIKey of (3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole?
The InChIKey is MEMVUIOBVYPJFB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23FN2/c1-11-8-13-12-6-4-5-7-14(12)18-15(13)9-19(11)10-16(2,3)17/h6-7,11,18H,4-5,8-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole?
(3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole has a molecular weight of 262.37 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,6,7,9-hexahydropyrido[3,4-b]indole is sourced from PubChem (CID 154987733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).