1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine

C17H26FNO3 — CID 164985540

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine
SMILESC=C1C=CN([C@@H]2O[C@H](COC(C)C)[C@@H](OC(C)C)[C@H]2F)C=C1
InChIInChI=1S/C17H26FNO3/c1-11(2)20-10-14-16(21-12(3)4)15(18)17(22-14)19-8-6-13(5)7-9-19/h6-9,11-12,14-17H,5,10H2,1-4H3/t14-,15-,16-,17-/m1/s1
InChIKeyGCKNLKFGITYRTE-QBPKDAKJSA-N
MW311.40 g/mol
LogP3.17
Rot. Bonds6

About 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine

1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine (PubChem CID 164985540) has the molecular formula C17H26FNO3 and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine
PubChem CID164985540
Molecular FormulaC17H26FNO3
Molecular Weight311.40 g/mol
Exact Mass311.19
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine
SMILESC=C1C=CN([C@@H]2O[C@H](COC(C)C)[C@@H](OC(C)C)[C@H]2F)C=C1
InChIInChI=1S/C17H26FNO3/c1-11(2)20-10-14-16(21-12(3)4)15(18)17(22-14)19-8-6-13(5)7-9-19/h6-9,11-12,14-17H,5,10H2,1-4H3/t14-,15-,16-,17-/m1/s1
InChIKeyGCKNLKFGITYRTE-QBPKDAKJSA-N
XLogP3.17
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine
CID 165070456
1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-methylidenepyridine
CID 167566862

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine (CID 164985540) is 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine is C=C1C=CN([C@@H]2O[C@H](COC(C)C)[C@@H](OC(C)C)[C@H]2F)C=C1.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine?
The InChIKey is GCKNLKFGITYRTE-QBPKDAKJSA-N. The full InChI is InChI=1S/C17H26FNO3/c1-11(2)20-10-14-16(21-12(3)4)15(18)17(22-14)19-8-6-13(5)7-9-19/h6-9,11-12,14-17H,5,10H2,1-4H3/t14-,15-,16-,17-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine?
1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine has a molecular weight of 311.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-4-methylidenepyridine is sourced from PubChem (CID 164985540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).