1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine

C11H10F15NO — CID 130418395

IUPAC1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine
SMILESCC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F15NO/c1-3(7(14,15)5(12)9(18,19)20)28-4(2)8(16,17)6(13)27(10(21,22)23)11(24,25)26/h3-6H,1-2H3
InChIKeyVZDKCIYKJJPYMF-UHFFFAOYSA-N
MW457.18 g/mol
LogP5.59
Rot. Bonds7

About 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine

1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine (PubChem CID 130418395) has the molecular formula C11H10F15NO and a molecular weight of 457.18 g/mol. Its IUPAC name is 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine.

Molecular Properties

Compound Name1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine
PubChem CID130418395
Molecular FormulaC11H10F15NO
Molecular Weight457.18 g/mol
Exact Mass457.05
IUPAC Name1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine
SMILESCC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F15NO/c1-3(7(14,15)5(12)9(18,19)20)28-4(2)8(16,17)6(13)27(10(21,22)23)11(24,25)26/h3-6H,1-2H3
InChIKeyVZDKCIYKJJPYMF-UHFFFAOYSA-N
XLogP5.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.18
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1,2,2-Trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine
CID 130418390
1-[1,2,2-Trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]pyrrolidine
CID 130418392
1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)pentan-2-amine
CID 130418408
N,1,2,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methylbutan-1-amine
CID 137474495
N,1,1,1,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methylpentan-2-amine
CID 137474496
N,1,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-2-(trifluoromethyl)butan-1-amine
CID 137474497
1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N,2-tris(trifluoromethyl)butan-1-amine
CID 137474504
N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine
CID 137474617
1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine
CID 145366155
N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine
CID 145366180
2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine
CID 170412531
N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine;ethane
CID 170585606

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine?
The IUPAC name of 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine (CID 130418395) is 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine.
What is the SMILES notation for 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine?
The canonical SMILES for 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine is CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine?
The InChIKey is VZDKCIYKJJPYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F15NO/c1-3(7(14,15)5(12)9(18,19)20)28-4(2)8(16,17)6(13)27(10(21,22)23)11(24,25)26/h3-6H,1-2H3.
What are the key properties of 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine?
1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine has a molecular weight of 457.18 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine is sourced from PubChem (CID 130418395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).