4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide

C10H16F3NO3 — CID 91759742

IUPAC4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)CCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-16-8-6-17-5-3-7(8)14-9(15)2-4-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)/t7-,8-/m1/s1
InChIKeySDOBTZVWFVFRJD-HTQZYQBOSA-N
MW255.24 g/mol
LogP1.25
Rot. Bonds4

About 4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide

4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide (PubChem CID 91759742) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide
PubChem CID91759742
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)CCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-16-8-6-17-5-3-7(8)14-9(15)2-4-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)/t7-,8-/m1/s1
InChIKeySDOBTZVWFVFRJD-HTQZYQBOSA-N
XLogP1.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide (CID 91759742) is 4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide is CO[C@@H]1COCC[C@H]1NC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide?
The InChIKey is SDOBTZVWFVFRJD-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-16-8-6-17-5-3-7(8)14-9(15)2-4-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)/t7-,8-/m1/s1.
What are the key properties of 4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide?
4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide has a molecular weight of 255.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]butanamide is sourced from PubChem (CID 91759742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).