(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride

C15H20FNO3 — CID 86706342

IUPAC(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride
SMILESCCCC[C@H](CN(C=O)OCc1ccccc1)C(=O)F
InChIInChI=1S/C15H20FNO3/c1-2-3-9-14(15(16)19)10-17(12-18)20-11-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3/t14-/m1/s1
InChIKeySVUGGEADYFGEFI-CQSZACIVSA-N
MW281.33 g/mol
LogP2.88
Rot. Bonds10

About (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride

(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride (PubChem CID 86706342) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride.

Molecular Properties

Compound Name(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride
PubChem CID86706342
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride
SMILESCCCC[C@H](CN(C=O)OCc1ccccc1)C(=O)F
InChIInChI=1S/C15H20FNO3/c1-2-3-9-14(15(16)19)10-17(12-18)20-11-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3/t14-/m1/s1
InChIKeySVUGGEADYFGEFI-CQSZACIVSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride?
The IUPAC name of (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride (CID 86706342) is (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride.
What is the SMILES notation for (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride?
The canonical SMILES for (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride is CCCC[C@H](CN(C=O)OCc1ccccc1)C(=O)F.
What is the InChIKey of (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride?
The InChIKey is SVUGGEADYFGEFI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-2-3-9-14(15(16)19)10-17(12-18)20-11-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride?
(2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride has a molecular weight of 281.33 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[formyl(phenylmethoxy)amino]methyl]hexanoyl fluoride is sourced from PubChem (CID 86706342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).