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

C14H23F3N2O — CID 97232664

IUPAC(3R)-N-[(1S,5R,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-KKOKHZNYSA-N
MW292.35 g/mol
LogP2.03
Rot. Bonds3

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

(3R)-N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 97232664) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is (3R)-N-[(1S,5R,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,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID97232664
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name(3R)-N-[(1S,5R,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-KKOKHZNYSA-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,5R,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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Related Compounds

7,7-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864113
7,7-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865466
7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872029
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 75428338
(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
(3R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 100901526
7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 103785787
7,7-Dimethyl-6-[(4,4,4-trifluorobutan-2-ylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 105946052
7,7-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 106210420
1-(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 112241010
1-(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 112241014
7,7-dimethyl-N-(4,4,4-trifluorobutyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113326974

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S,5R,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,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 97232664) is (3R)-N-[(1S,5R,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,5R,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,5R,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,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is OGTCEKRMQDEGPJ-KKOKHZNYSA-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,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
(3R)-N-[(1S,5R,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,5R,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 97232664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).