N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride

C10H17FN2O2 — CID 123898684

IUPACN,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride
SMILESC/N=C(\F)C(C)C(=O)NC1CCOCC1
InChIInChI=1S/C10H17FN2O2/c1-7(9(11)12-2)10(14)13-8-3-5-15-6-4-8/h7-8H,3-6H2,1-2H3,(H,13,14)/b12-9-
InChIKeyMREWXHGAFKNQRU-XFXZXTDPSA-N
MW216.26 g/mol
LogP0.92
Rot. Bonds3

About N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride

N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride (PubChem CID 123898684) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride.

Molecular Properties

Compound NameN,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride
PubChem CID123898684
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC NameN,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride
SMILESC/N=C(\F)C(C)C(=O)NC1CCOCC1
InChIInChI=1S/C10H17FN2O2/c1-7(9(11)12-2)10(14)13-8-3-5-15-6-4-8/h7-8H,3-6H2,1-2H3,(H,13,14)/b12-9-
InChIKeyMREWXHGAFKNQRU-XFXZXTDPSA-N
XLogP0.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride?
The IUPAC name of N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride (CID 123898684) is N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride.
What is the SMILES notation for N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride?
The canonical SMILES for N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride is C/N=C(\F)C(C)C(=O)NC1CCOCC1.
What is the InChIKey of N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride?
The InChIKey is MREWXHGAFKNQRU-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H17FN2O2/c1-7(9(11)12-2)10(14)13-8-3-5-15-6-4-8/h7-8H,3-6H2,1-2H3,(H,13,14)/b12-9-.
What are the key properties of N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride?
N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride has a molecular weight of 216.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanimidoyl fluoride is sourced from PubChem (CID 123898684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).