(7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

C9H16FN — CID 146550491

IUPAC(7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESC[C@@H]1CC(F)CC2CCNC21
InChIInChI=1S/C9H16FN/c1-6-4-8(10)5-7-2-3-11-9(6)7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9?/m1/s1
InChIKeyPVSDJCWNYLHYPE-LJSVPSOQSA-N
MW157.23 g/mol
LogP1.73
Rot. Bonds

About (7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

(7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (PubChem CID 146550491) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.

Molecular Properties

Compound Name(7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
PubChem CID146550491
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESC[C@@H]1CC(F)CC2CCNC21
InChIInChI=1S/C9H16FN/c1-6-4-8(10)5-7-2-3-11-9(6)7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9?/m1/s1
InChIKeyPVSDJCWNYLHYPE-LJSVPSOQSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The IUPAC name of (7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (CID 146550491) is (7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.
What is the SMILES notation for (7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The canonical SMILES for (7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is C[C@@H]1CC(F)CC2CCNC21.
What is the InChIKey of (7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The InChIKey is PVSDJCWNYLHYPE-LJSVPSOQSA-N. The full InChI is InChI=1S/C9H16FN/c1-6-4-8(10)5-7-2-3-11-9(6)7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9?/m1/s1.
What are the key properties of (7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
(7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole has a molecular weight of 157.23 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is sourced from PubChem (CID 146550491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).