(2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

C20H26FNO4 — CID 129423157

About (2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 129423157) has the molecular formula C20H26FNO4 and a molecular weight of 363.43 g/mol. Its IUPAC name is (2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
• PubChem CID: 129423157
• Molecular Formula: C20H26FNO4
• Molecular Weight: 363.43 g/mol
• Exact Mass: 363.18
• IUPAC Name: (2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
• SMILES: O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@H]1CCCO1
• InChI: InChI=1S/C20H26FNO4/c21-17-7-5-16(6-8-17)11-22(13-19-3-1-9-25-19)12-18(23)14-24-15-20-4-2-10-26-20/h2,4-8,10,18-19,23H,1,3,9,11-15H2/t18-,19-/m1/s1
• InChIKey: QSRPGKYHPZUAQD-RTBURBONSA-N
• XLogP: 2.98
• TPSA: 55.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.43
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The IUPAC name of (2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 129423157) is (2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.

What is the SMILES notation for (2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The canonical SMILES for (2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@H]1CCCO1.

What is the InChIKey of (2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

The InChIKey is QSRPGKYHPZUAQD-RTBURBONSA-N. The full InChI is InChI=1S/C20H26FNO4/c21-17-7-5-16(6-8-17)11-22(13-19-3-1-9-25-19)12-18(23)14-24-15-20-4-2-10-26-20/h2,4-8,10,18-19,23H,1,3,9,11-15H2/t18-,19-/m1/s1.

What are the key properties of (2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?

(2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 363.43 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 129423157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).