5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine

C17H17F4N3O — CID 166100913

IUPAC5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine
SMILESFc1ccc(N[C@@H]2CNC[C@H]2OCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C17H17F4N3O/c18-13-5-6-16(23-7-13)24-14-8-22-9-15(14)25-10-11-1-3-12(4-2-11)17(19,20)21/h1-7,14-15,22H,8-10H2,(H,23,24)/t14-,15-/m1/s1
InChIKeyNNDBICONACXLNG-HUUCEWRRSA-N
MW355.34 g/mol
LogP3.21
Rot. Bonds5

About 5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine

5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166100913) has the molecular formula C17H17F4N3O and a molecular weight of 355.34 g/mol. Its IUPAC name is 5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine
PubChem CID166100913
Molecular FormulaC17H17F4N3O
Molecular Weight355.34 g/mol
Exact Mass355.13
IUPAC Name5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine
SMILESFc1ccc(N[C@@H]2CNC[C@H]2OCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C17H17F4N3O/c18-13-5-6-16(23-7-13)24-14-8-22-9-15(14)25-10-11-1-3-12(4-2-11)17(19,20)21/h1-7,14-15,22H,8-10H2,(H,23,24)/t14-,15-/m1/s1
InChIKeyNNDBICONACXLNG-HUUCEWRRSA-N
XLogP3.21
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine (CID 166100913) is 5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine is Fc1ccc(N[C@@H]2CNC[C@H]2OCc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is NNDBICONACXLNG-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H17F4N3O/c18-13-5-6-16(23-7-13)24-14-8-22-9-15(14)25-10-11-1-3-12(4-2-11)17(19,20)21/h1-7,14-15,22H,8-10H2,(H,23,24)/t14-,15-/m1/s1.
What are the key properties of 5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine?
5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 355.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3R,4R)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166100913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).