4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine

C17H30Br4F2N2O2 — CID 139932614

IUPAC4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine
SMILESCCC(OC)C(CC)N1C(F)(F)N(C(CC)C(CC)OC)C(Br)(Br)C1(Br)Br
InChIInChI=1S/C17H30Br4F2N2O2/c1-7-11(13(9-3)26-5)24-15(18,19)16(20,21)25(17(24,22)23)12(8-2)14(10-4)27-6/h11-14H,7-10H2,1-6H3
InChIKeyRVGRUPJBCRYWOB-UHFFFAOYSA-N
MW652.05 g/mol
LogP6.45
Rot. Bonds10

About 4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine

4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine (PubChem CID 139932614) has the molecular formula C17H30Br4F2N2O2 and a molecular weight of 652.05 g/mol. Its IUPAC name is 4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine.

Molecular Properties

Compound Name4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine
PubChem CID139932614
Molecular FormulaC17H30Br4F2N2O2
Molecular Weight652.05 g/mol
Exact Mass647.90
IUPAC Name4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine
SMILESCCC(OC)C(CC)N1C(F)(F)N(C(CC)C(CC)OC)C(Br)(Br)C1(Br)Br
InChIInChI=1S/C17H30Br4F2N2O2/c1-7-11(13(9-3)26-5)24-15(18,19)16(20,21)25(17(24,22)23)12(8-2)14(10-4)27-6/h11-14H,7-10H2,1-6H3
InChIKeyRVGRUPJBCRYWOB-UHFFFAOYSA-N
XLogP6.45
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.05
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,5-Pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine
CID 139932610
2,2-Difluoro-1-(2-methoxyethyl)-3-(4-methoxyhexan-3-yl)imidazolidine
CID 139932613
2,2-Difluoro-1-(2-methoxyethyl)-3-(2-methoxypentan-3-yl)imidazolidine
CID 139932618
4,5-Diethyl-2,2-difluoro-1,3-bis(2-methoxybutyl)imidazolidine
CID 139932623
2,2-Difluoro-1-(2-methoxyethyl)-3-(3-methoxypentan-2-yl)imidazolidine
CID 139932674
2,2-Difluoro-1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidine
CID 139932678
4,4-Dibromo-2,2-difluoro-1,3-bis(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine
CID 139932696
2,2-Difluoro-4,4,5-triiodo-1,3-bis(4-methoxyhexan-3-yl)imidazolidine
CID 139932712
1-(2-Ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine
CID 139932713
4-Ethyl-2,2-difluoro-1,3-bis(2-methoxyhexan-3-yl)imidazolidine
CID 139932728
2,2,4,4,5,5-Hexafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidine
CID 139932761
4,4,5,5-Tetrabromo-1,3-bis(4-methoxyhexan-3-yl)imidazolidin-2-one
CID 139925672

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine?
The IUPAC name of 4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine (CID 139932614) is 4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine.
What is the SMILES notation for 4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine?
The canonical SMILES for 4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine is CCC(OC)C(CC)N1C(F)(F)N(C(CC)C(CC)OC)C(Br)(Br)C1(Br)Br.
What is the InChIKey of 4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine?
The InChIKey is RVGRUPJBCRYWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30Br4F2N2O2/c1-7-11(13(9-3)26-5)24-15(18,19)16(20,21)25(17(24,22)23)12(8-2)14(10-4)27-6/h11-14H,7-10H2,1-6H3.
What are the key properties of 4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine?
4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine has a molecular weight of 652.05 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrabromo-2,2-difluoro-1,3-bis(4-methoxyhexan-3-yl)imidazolidine is sourced from PubChem (CID 139932614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).