N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide

C11H16F3NO5 — CID 129015431

IUPACN-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)N[C@@H]1[C@@H](O)[C@@H](O)[C@]2(CO)CC[C@H]1O2
InChIInChI=1S/C11H16F3NO5/c12-11(13,14)3-6(17)15-7-5-1-2-10(4-16,20-5)9(19)8(7)18/h5,7-9,16,18-19H,1-4H2,(H,15,17)/t5-,7+,8-,9-,10-/m1/s1
InChIKeySTPBRJAQABMUEN-TVVSKHENSA-N
MW299.25 g/mol
LogP-0.93
Rot. Bonds3

About N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide

N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide (PubChem CID 129015431) has the molecular formula C11H16F3NO5 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide
PubChem CID129015431
Molecular FormulaC11H16F3NO5
Molecular Weight299.25 g/mol
Exact Mass299.10
IUPAC NameN-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)N[C@@H]1[C@@H](O)[C@@H](O)[C@]2(CO)CC[C@H]1O2
InChIInChI=1S/C11H16F3NO5/c12-11(13,14)3-6(17)15-7-5-1-2-10(4-16,20-5)9(19)8(7)18/h5,7-9,16,18-19H,1-4H2,(H,15,17)/t5-,7+,8-,9-,10-/m1/s1
InChIKeySTPBRJAQABMUEN-TVVSKHENSA-N
XLogP-0.93
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide (CID 129015431) is N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)N[C@@H]1[C@@H](O)[C@@H](O)[C@]2(CO)CC[C@H]1O2.
What is the InChIKey of N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide?
The InChIKey is STPBRJAQABMUEN-TVVSKHENSA-N. The full InChI is InChI=1S/C11H16F3NO5/c12-11(13,14)3-6(17)15-7-5-1-2-10(4-16,20-5)9(19)8(7)18/h5,7-9,16,18-19H,1-4H2,(H,15,17)/t5-,7+,8-,9-,10-/m1/s1.
What are the key properties of N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide?
N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide has a molecular weight of 299.25 g/mol, XLogP of -0.93, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octan-2-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 129015431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).