(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

C19H27FN2O3 — CID 97422670

IUPAC(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESFc1cccnc1OC[C@@]12CCO[C@@H]1CCN(CC1CCOCC1)C2
InChIInChI=1S/C19H27FN2O3/c20-16-2-1-7-21-18(16)25-14-19-6-11-24-17(19)3-8-22(13-19)12-15-4-9-23-10-5-15/h1-2,7,15,17H,3-6,8-14H2/t17-,19+/m1/s1
InChIKeyIFZVPUBAERRWPY-MJGOQNOKSA-N
MW350.43 g/mol
LogP2.51
Rot. Bonds5

About (3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (PubChem CID 97422670) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is (3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
PubChem CID97422670
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESFc1cccnc1OC[C@@]12CCO[C@@H]1CCN(CC1CCOCC1)C2
InChIInChI=1S/C19H27FN2O3/c20-16-2-1-7-21-18(16)25-14-19-6-11-24-17(19)3-8-22(13-19)12-15-4-9-23-10-5-15/h1-2,7,15,17H,3-6,8-14H2/t17-,19+/m1/s1
InChIKeyIFZVPUBAERRWPY-MJGOQNOKSA-N
XLogP2.51
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The IUPAC name of (3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (CID 97422670) is (3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.
What is the SMILES notation for (3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The canonical SMILES for (3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is Fc1cccnc1OC[C@@]12CCO[C@@H]1CCN(CC1CCOCC1)C2.
What is the InChIKey of (3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The InChIKey is IFZVPUBAERRWPY-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H27FN2O3/c20-16-2-1-7-21-18(16)25-14-19-6-11-24-17(19)3-8-22(13-19)12-15-4-9-23-10-5-15/h1-2,7,15,17H,3-6,8-14H2/t17-,19+/m1/s1.
What are the key properties of (3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine has a molecular weight of 350.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 97422670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).