2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine

C21H42F2N2O2 — CID 139932725

IUPAC2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine
SMILESCOCCN1C(F)(F)N(CCOC)C(C(C)C)(C(C)C)C1(C(C)C)C(C)C
InChIInChI=1S/C21H42F2N2O2/c1-15(2)19(16(3)4)20(17(5)6,18(7)8)25(12-14-27-10)21(22,23)24(19)11-13-26-9/h15-18H,11-14H2,1-10H3
InChIKeyZYXVYWOCNYYARB-UHFFFAOYSA-N
MW392.58 g/mol
LogP4.55
Rot. Bonds10

About 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine

2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine (PubChem CID 139932725) has the molecular formula C21H42F2N2O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine
PubChem CID139932725
Molecular FormulaC21H42F2N2O2
Molecular Weight392.58 g/mol
Exact Mass392.32
IUPAC Name2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine
SMILESCOCCN1C(F)(F)N(CCOC)C(C(C)C)(C(C)C)C1(C(C)C)C(C)C
InChIInChI=1S/C21H42F2N2O2/c1-15(2)19(16(3)4)20(17(5)6,18(7)8)25(12-14-27-10)21(22,23)24(19)11-13-26-9/h15-18H,11-14H2,1-10H3
InChIKeyZYXVYWOCNYYARB-UHFFFAOYSA-N
XLogP4.55
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.58
LogP ≤ 54.55
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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Related Compounds

1,3-Bis(1-fluoro-2-methoxyethyl)-4,4-di(propan-2-yl)imidazolidin-2-one
CID 139925632
1,3-Bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidin-2-one
CID 139925682
1,3-Bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one
CID 139925686
4,5-Diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-bis(2-methoxybutyl)imidazolidin-2-one
CID 139925693
4-Ethyl-4,5,5-trimethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
CID 139925705
1,3-Bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one
CID 139925736
2,2-Difluoro-1-(2-methoxyethyl)-3-(4-methoxy-2-methylhexan-3-yl)imidazolidine
CID 139932591
4,5-Diethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine
CID 139932593
4-Ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine
CID 139932597
2,2-Difluoro-1,3-bis(4-methoxyhexan-3-yl)-4,4,5,5-tetramethylimidazolidine
CID 139932598
2,2-Difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tripropylimidazolidine
CID 139932609
4,4,5,5-Tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine
CID 139932621

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine?
The IUPAC name of 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine (CID 139932725) is 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine.
What is the SMILES notation for 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine?
The canonical SMILES for 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine is COCCN1C(F)(F)N(CCOC)C(C(C)C)(C(C)C)C1(C(C)C)C(C)C.
What is the InChIKey of 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine?
The InChIKey is ZYXVYWOCNYYARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42F2N2O2/c1-15(2)19(16(3)4)20(17(5)6,18(7)8)25(12-14-27-10)21(22,23)24(19)11-13-26-9/h15-18H,11-14H2,1-10H3.
What are the key properties of 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine?
2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine has a molecular weight of 392.58 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-bis(2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidine is sourced from PubChem (CID 139932725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).