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

C10H10F13NO — CID 137474505

IUPACN,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine
SMILESCC(OC(C)C(F)(C(F)N(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H10F13NO/c1-3(7(13,10(19,20)21)6(12)24(22)23)25-4(2)8(14,15)5(11)9(16,17)18/h3-6H,1-2H3
InChIKeyUGZQXBODJIEKSC-UHFFFAOYSA-N
MW407.17 g/mol
LogP4.95
Rot. Bonds7

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

N,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine (PubChem CID 137474505) has the molecular formula C10H10F13NO and a molecular weight of 407.17 g/mol. Its IUPAC name is N,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine.

Molecular Properties

Compound NameN,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine
PubChem CID137474505
Molecular FormulaC10H10F13NO
Molecular Weight407.17 g/mol
Exact Mass407.06
IUPAC NameN,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine
SMILESCC(OC(C)C(F)(C(F)N(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H10F13NO/c1-3(7(13,10(19,20)21)6(12)24(22)23)25-4(2)8(14,15)5(11)9(16,17)18/h3-6H,1-2H3
InChIKeyUGZQXBODJIEKSC-UHFFFAOYSA-N
XLogP4.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.17
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,1,2,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methylbutan-1-amine
CID 137474495
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,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine
CID 137474506
N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine
CID 137474617
1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine
CID 160642141

Frequently Asked Questions

What is the IUPAC name of N,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine?
The IUPAC name of N,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine (CID 137474505) is N,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine.
What is the SMILES notation for N,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine?
The canonical SMILES for N,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine is CC(OC(C)C(F)(C(F)N(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of N,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine?
The InChIKey is UGZQXBODJIEKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F13NO/c1-3(7(13,10(19,20)21)6(12)24(22)23)25-4(2)8(14,15)5(11)9(16,17)18/h3-6H,1-2H3.
What are the key properties of N,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine?
N,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine has a molecular weight of 407.17 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine is sourced from PubChem (CID 137474505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).