N,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine

C10H10F13NO — CID 137474506

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

About N,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine

N,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine (PubChem CID 137474506) has the molecular formula C10H10F13NO and a molecular weight of 407.17 g/mol. Its IUPAC name is N,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine.

Molecular Properties

Compound NameN,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine
PubChem CID137474506
Molecular FormulaC10H10F13NO
Molecular Weight407.17 g/mol
Exact Mass407.06
IUPAC NameN,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine
SMILESCC(OC(C)C(F)(F)C(N(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H10F13NO/c1-3(7(12,13)5(11)9(16,17)18)25-4(2)8(14,15)6(24(22)23)10(19,20)21/h3-6H,1-2H3
InChIKeyUHZLKVBUQBJUEN-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-halo', 'substructure': 'N/A'}

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Related Compounds

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,N,1,2-tetrafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butan-1-amine
CID 137474505
N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine
CID 137474617
4-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)pentan-2-amine
CID 102721983
3,3-difluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N-(trifluoromethyl)pentan-2-amine
CID 157817567

Frequently Asked Questions

What is the IUPAC name of N,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine?
The IUPAC name of N,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine (CID 137474506) is N,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine.
What is the SMILES notation for N,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine?
The canonical SMILES for N,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine is CC(OC(C)C(F)(F)C(N(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of N,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine?
The InChIKey is UHZLKVBUQBJUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F13NO/c1-3(7(12,13)5(11)9(16,17)18)25-4(2)8(14,15)6(24(22)23)10(19,20)21/h3-6H,1-2H3.
What are the key properties of N,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine?
N,N,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-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,1,1,1,3,3-heptafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-amine is sourced from PubChem (CID 137474506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).