(3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C14H23F3N2O — CID 97232666

IUPAC(3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCC1(C)[C@H](N[C@@H]2CCN(CC(F)(F)F)C2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C14H23F3N2O/c1-13(2)11(10-4-6-20-12(10)13)18-9-3-5-19(7-9)8-14(15,16)17/h9-12,18H,3-8H2,1-2H3/t9-,10+,11-,12+/m1/s1
InChIKeyOGTCEKRMQDEGPJ-KXNHARMFSA-N
MW292.35 g/mol
LogP2.03
Rot. Bonds3

About (3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

(3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 97232666) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is (3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID97232666
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name(3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCC1(C)[C@H](N[C@@H]2CCN(CC(F)(F)F)C2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C14H23F3N2O/c1-13(2)11(10-4-6-20-12(10)13)18-9-3-5-19(7-9)8-14(15,16)17/h9-12,18H,3-8H2,1-2H3/t9-,10+,11-,12+/m1/s1
InChIKeyOGTCEKRMQDEGPJ-KXNHARMFSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 97232666) is (3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CC1(C)[C@H](N[C@@H]2CCN(CC(F)(F)F)C2)[C@@H]2CCO[C@@H]21.
What is the InChIKey of (3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is OGTCEKRMQDEGPJ-KXNHARMFSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-13(2)11(10-4-6-20-12(10)13)18-9-3-5-19(7-9)8-14(15,16)17/h9-12,18H,3-8H2,1-2H3/t9-,10+,11-,12+/m1/s1.
What are the key properties of (3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
(3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 292.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 97232666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).