2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide

C9H15F3N2O3 — CID 89484159

IUPAC2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide
SMILESC[C@H](O)[C@H](CCN(C)C=O)NC(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-6(16)7(3-4-14(2)5-15)13-8(17)9(10,11)12/h5-7,16H,3-4H2,1-2H3,(H,13,17)/t6-,7-/m0/s1
InChIKeyDXBFNCVVUGMODO-BQBZGAKWSA-N
MW256.22 g/mol
LogP-0.11
Rot. Bonds6

About 2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide

2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide (PubChem CID 89484159) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide
PubChem CID89484159
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide
SMILESC[C@H](O)[C@H](CCN(C)C=O)NC(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-6(16)7(3-4-14(2)5-15)13-8(17)9(10,11)12/h5-7,16H,3-4H2,1-2H3,(H,13,17)/t6-,7-/m0/s1
InChIKeyDXBFNCVVUGMODO-BQBZGAKWSA-N
XLogP-0.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide (CID 89484159) is 2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide is C[C@H](O)[C@H](CCN(C)C=O)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide?
The InChIKey is DXBFNCVVUGMODO-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-6(16)7(3-4-14(2)5-15)13-8(17)9(10,11)12/h5-7,16H,3-4H2,1-2H3,(H,13,17)/t6-,7-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide?
2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide has a molecular weight of 256.22 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide is sourced from PubChem (CID 89484159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).