(3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine

C12H13FN2 — CID 10330543

IUPAC(3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine
SMILESNC1=Nc2c(F)cccc2[C@H]2CCC[C@@H]12
InChIInChI=1S/C12H13FN2/c13-10-6-2-4-8-7-3-1-5-9(7)12(14)15-11(8)10/h2,4,6-7,9H,1,3,5H2,(H2,14,15)/t7-,9-/m1/s1
InChIKeySUFZLMUEGUJHMD-VXNVDRBHSA-N
MW204.25 g/mol
LogP2.71
Rot. Bonds

About (3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine

(3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine (PubChem CID 10330543) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is (3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine.

Molecular Properties

Compound Name(3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine
PubChem CID10330543
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name(3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine
SMILESNC1=Nc2c(F)cccc2[C@H]2CCC[C@@H]12
InChIInChI=1S/C12H13FN2/c13-10-6-2-4-8-7-3-1-5-9(7)12(14)15-11(8)10/h2,4,6-7,9H,1,3,5H2,(H2,14,15)/t7-,9-/m1/s1
InChIKeySUFZLMUEGUJHMD-VXNVDRBHSA-N
XLogP2.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine?
The IUPAC name of (3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine (CID 10330543) is (3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine.
What is the SMILES notation for (3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine?
The canonical SMILES for (3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine is NC1=Nc2c(F)cccc2[C@H]2CCC[C@@H]12.
What is the InChIKey of (3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine?
The InChIKey is SUFZLMUEGUJHMD-VXNVDRBHSA-N. The full InChI is InChI=1S/C12H13FN2/c13-10-6-2-4-8-7-3-1-5-9(7)12(14)15-11(8)10/h2,4,6-7,9H,1,3,5H2,(H2,14,15)/t7-,9-/m1/s1.
What are the key properties of (3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine?
(3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine has a molecular weight of 204.25 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9bS)-6-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine is sourced from PubChem (CID 10330543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).