(2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine

C17H13F7N2O — CID 156809876

IUPAC(2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
SMILESNC[C@H](c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@H]2C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H13F7N2O/c18-9-3-1-8(2-4-9)14-15-10(12(7-27-15)17(22,23)24)5-13(26-14)11(6-25)16(19,20)21/h1-5,11-12H,6-7,25H2/t11-,12-/m1/s1
InChIKeyAWDUIHSYGHPFBL-VXGBXAGGSA-N
MW394.29 g/mol
LogP4.53
Rot. Bonds3

About (2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine

(2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine (PubChem CID 156809876) has the molecular formula C17H13F7N2O and a molecular weight of 394.29 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
PubChem CID156809876
Molecular FormulaC17H13F7N2O
Molecular Weight394.29 g/mol
Exact Mass394.09
IUPAC Name(2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
SMILESNC[C@H](c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@H]2C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H13F7N2O/c18-9-3-1-8(2-4-9)14-15-10(12(7-27-15)17(22,23)24)5-13(26-14)11(6-25)16(19,20)21/h1-5,11-12H,6-7,25H2/t11-,12-/m1/s1
InChIKeyAWDUIHSYGHPFBL-VXGBXAGGSA-N
XLogP4.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine?
The IUPAC name of (2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine (CID 156809876) is (2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine is NC[C@H](c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@H]2C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine?
The InChIKey is AWDUIHSYGHPFBL-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H13F7N2O/c18-9-3-1-8(2-4-9)14-15-10(12(7-27-15)17(22,23)24)5-13(26-14)11(6-25)16(19,20)21/h1-5,11-12H,6-7,25H2/t11-,12-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine?
(2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine has a molecular weight of 394.29 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine is sourced from PubChem (CID 156809876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).