1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine

C23H30F21N3O3 — CID 154981936

IUPAC1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine
SMILESCC(COCC(COCC(C)NC(C(F)(F)F)C(F)(F)F)(COCC(C)NC(C(F)(F)F)C(F)(F)F)C(F)(F)F)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H30F21N3O3/c1-10(45-13(17(24,25)26)18(27,28)29)4-48-7-16(23(42,43)44,8-49-5-11(2)46-14(19(30,31)32)20(33,34)35)9-50-6-12(3)47-15(21(36,37)38)22(39,40)41/h10-15,45-47H,4-9H2,1-3H3
InChIKeyGJLMPEHXYBLPAU-UHFFFAOYSA-N
MW795.47 g/mol
LogP7.00
Rot. Bonds18

About 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine

1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine (PubChem CID 154981936) has the molecular formula C23H30F21N3O3 and a molecular weight of 795.47 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine
PubChem CID154981936
Molecular FormulaC23H30F21N3O3
Molecular Weight795.47 g/mol
Exact Mass795.20
IUPAC Name1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine
SMILESCC(COCC(COCC(C)NC(C(F)(F)F)C(F)(F)F)(COCC(C)NC(C(F)(F)F)C(F)(F)F)C(F)(F)F)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H30F21N3O3/c1-10(45-13(17(24,25)26)18(27,28)29)4-48-7-16(23(42,43)44,8-49-5-11(2)46-14(19(30,31)32)20(33,34)35)9-50-6-12(3)47-15(21(36,37)38)22(39,40)41/h10-15,45-47H,4-9H2,1-3H3
InChIKeyGJLMPEHXYBLPAU-UHFFFAOYSA-N
XLogP7.00
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.47
LogP ≤ 57.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine (CID 154981936) is 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine is CC(COCC(COCC(C)NC(C(F)(F)F)C(F)(F)F)(COCC(C)NC(C(F)(F)F)C(F)(F)F)C(F)(F)F)NC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine?
The InChIKey is GJLMPEHXYBLPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F21N3O3/c1-10(45-13(17(24,25)26)18(27,28)29)4-48-7-16(23(42,43)44,8-49-5-11(2)46-14(19(30,31)32)20(33,34)35)9-50-6-12(3)47-15(21(36,37)38)22(39,40)41/h10-15,45-47H,4-9H2,1-3H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine?
1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine has a molecular weight of 795.47 g/mol, XLogP of 7.00, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine is sourced from PubChem (CID 154981936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).