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

C23H36F15N3O3 — CID 161420679

IUPAC1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1-trifluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine
SMILESCC(COCC(COCC(C)NC(C)C(F)(F)F)(COCC(C)NC(C(F)(F)F)C(F)(F)F)C(F)(F)F)NC(C)C(F)(F)F
InChIInChI=1S/C23H36F15N3O3/c1-12(39-15(4)19(24,25)26)6-42-9-18(23(36,37)38,10-43-7-13(2)40-16(5)20(27,28)29)11-44-8-14(3)41-17(21(30,31)32)22(33,34)35/h12-17,39-41H,6-11H2,1-5H3
InChIKeyVWRONPCEQAZEPA-UHFFFAOYSA-N
MW687.53 g/mol
LogP5.91
Rot. Bonds18

About 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1-trifluoropropan-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-trifluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine (PubChem CID 161420679) has the molecular formula C23H36F15N3O3 and a molecular weight of 687.53 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-trifluoropropan-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-trifluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine
PubChem CID161420679
Molecular FormulaC23H36F15N3O3
Molecular Weight687.53 g/mol
Exact Mass687.25
IUPAC Name1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1-trifluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine
SMILESCC(COCC(COCC(C)NC(C)C(F)(F)F)(COCC(C)NC(C(F)(F)F)C(F)(F)F)C(F)(F)F)NC(C)C(F)(F)F
InChIInChI=1S/C23H36F15N3O3/c1-12(39-15(4)19(24,25)26)6-42-9-18(23(36,37)38,10-43-7-13(2)40-16(5)20(27,28)29)11-44-8-14(3)41-17(21(30,31)32)22(33,34)35/h12-17,39-41H,6-11H2,1-5H3
InChIKeyVWRONPCEQAZEPA-UHFFFAOYSA-N
XLogP5.91
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.53
LogP ≤ 55.91
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-trifluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine with MolForge

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Related Compounds

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
1-methoxy-N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 176738334
N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine
CID 177011123
1-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 61492200
1-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 61849357
N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine
CID 62342592
1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine
CID 62597645
1-ethoxy-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 65805397
N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxypropan-2-amine
CID 82010131
1-methoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine
CID 82957514
N-[2-(2,2-difluoroethoxy)ethyl]-1-ethoxypropan-2-amine
CID 103082640
1-ethoxy-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215765

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-trifluoropropan-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-trifluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine (CID 161420679) is 1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1-trifluoropropan-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-trifluoropropan-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-trifluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine is CC(COCC(COCC(C)NC(C)C(F)(F)F)(COCC(C)NC(C(F)(F)F)C(F)(F)F)C(F)(F)F)NC(C)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-trifluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine?
The InChIKey is VWRONPCEQAZEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36F15N3O3/c1-12(39-15(4)19(24,25)26)6-42-9-18(23(36,37)38,10-43-7-13(2)40-16(5)20(27,28)29)11-44-8-14(3)41-17(21(30,31)32)22(33,34)35/h12-17,39-41H,6-11H2,1-5H3.
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-trifluoropropan-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-trifluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine has a molecular weight of 687.53 g/mol, XLogP of 5.91, 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-trifluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine is sourced from PubChem (CID 161420679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).