(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid

C52H42Cl2F14N4O5 — CID 158174208

About (2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid

(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid (PubChem CID 158174208) has the molecular formula C52H42Cl2F14N4O5 and a molecular weight of 1139.81 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid
• PubChem CID: 158174208
• Molecular Formula: C52H42Cl2F14N4O5
• Molecular Weight: 1139.81 g/mol
• Exact Mass: 1138.23
• IUPAC Name: (2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid
• SMILES: NC[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1.O=C(NC[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C1CC1(F)F.O=C(O)C1CC1(F)F
• InChI: InChI=1S/C26H20ClF7N2O2.C22H18ClF5N2O.C4H4F2O2/c27-17-6-7-21(35-13-17)24(11-15-4-2-1-3-5-15,14-36-22(37)20-12-25(20,31)32)16-8-18(28)10-19(9-16)38-26(33,34)23(29)30;23-16-6-7-19(30-12-16)21(13-29,11-14-4-2-1-3-5-14)15-8-17(24)10-18(9-15)31-22(27,28)20(25)26;5-4(6)1-2(4)3(7)8/h1-10,13,20,23H,11-12,14H2,(H,36,37);1-10,12,20H,11,13,29H2;2H,1H2,(H,7,8)/t20?,24-;21-;/m00./s1
• InChIKey: FXURGYAEVJCUSC-IXXSAMBSSA-N
• XLogP: 12.74
• TPSA: 136.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1139.81
LogP ≤ 5	12.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid?

The IUPAC name of (2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid (CID 158174208) is (2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid.

What is the SMILES notation for (2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid?

The canonical SMILES for (2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid is NC[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1.O=C(NC[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C1CC1(F)F.O=C(O)C1CC1(F)F.

What is the InChIKey of (2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid?

The InChIKey is FXURGYAEVJCUSC-IXXSAMBSSA-N. The full InChI is InChI=1S/C26H20ClF7N2O2.C22H18ClF5N2O.C4H4F2O2/c27-17-6-7-21(35-13-17)24(11-15-4-2-1-3-5-15,14-36-22(37)20-12-25(20,31)32)16-8-18(28)10-19(9-16)38-26(33,34)23(29)30;23-16-6-7-19(30-12-16)21(13-29,11-14-4-2-1-3-5-14)15-8-17(24)10-18(9-15)31-22(27,28)20(25)26;5-4(6)1-2(4)3(7)8/h1-10,13,20,23H,11-12,14H2,(H,36,37);1-10,12,20H,11,13,29H2;2H,1H2,(H,7,8)/t20?,24-;21-;/m00./s1.

What are the key properties of (2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid?

(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid has a molecular weight of 1139.81 g/mol, XLogP of 12.74, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropan-1-amine;N-[(2R)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-phenylpropyl]-2,2-difluorocyclopropane-1-carboxamide;2,2-difluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 158174208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).