4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide

C9H16F3NO3 — CID 103747790

IUPAC4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCOCC(C)CC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-6(5-16-2)3-8(15)13-4-7(14)9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyPNKVLWBDTNBMQO-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.70
Rot. Bonds6

About 4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide

4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (PubChem CID 103747790) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
PubChem CID103747790
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCOCC(C)CC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-6(5-16-2)3-8(15)13-4-7(14)9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyPNKVLWBDTNBMQO-UHFFFAOYSA-N
XLogP0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The IUPAC name of 4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (CID 103747790) is 4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is COCC(C)CC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The InChIKey is PNKVLWBDTNBMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-6(5-16-2)3-8(15)13-4-7(14)9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide has a molecular weight of 243.22 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is sourced from PubChem (CID 103747790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).