2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine

C14H28F2N2O2 — CID 139932591

IUPAC2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine
SMILESCCC(OC)C(C(C)C)N1CCN(CCOC)C1(F)F
InChIInChI=1S/C14H28F2N2O2/c1-6-12(20-5)13(11(2)3)18-8-7-17(9-10-19-4)14(18,15)16/h11-13H,6-10H2,1-5H3
InChIKeyYDARGWKLDQROPH-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.25
Rot. Bonds8

About 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine

2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine (PubChem CID 139932591) has the molecular formula C14H28F2N2O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine
PubChem CID139932591
Molecular FormulaC14H28F2N2O2
Molecular Weight294.39 g/mol
Exact Mass294.21
IUPAC Name2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine
SMILESCCC(OC)C(C(C)C)N1CCN(CCOC)C1(F)F
InChIInChI=1S/C14H28F2N2O2/c1-6-12(20-5)13(11(2)3)18-8-7-17(9-10-19-4)14(18,15)16/h11-13H,6-10H2,1-5H3
InChIKeyYDARGWKLDQROPH-UHFFFAOYSA-N
XLogP2.25
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine?
The IUPAC name of 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine (CID 139932591) is 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine.
What is the SMILES notation for 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine?
The canonical SMILES for 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine is CCC(OC)C(C(C)C)N1CCN(CCOC)C1(F)F.
What is the InChIKey of 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine?
The InChIKey is YDARGWKLDQROPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2O2/c1-6-12(20-5)13(11(2)3)18-8-7-17(9-10-19-4)14(18,15)16/h11-13H,6-10H2,1-5H3.
What are the key properties of 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine?
2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine has a molecular weight of 294.39 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine is sourced from PubChem (CID 139932591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).