N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine

C11H19F6NO — CID 102723301

IUPACN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCC(C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO/c1-5-9(3,4)18-6-7(2)19-8(10(12,13)14)11(15,16)17/h7-8,18H,5-6H2,1-4H3
InChIKeyVMPVZIORVKISTH-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.66
Rot. Bonds6

About N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine

N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine (PubChem CID 102723301) has the molecular formula C11H19F6NO and a molecular weight of 295.27 g/mol. Its IUPAC name is N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine
PubChem CID102723301
Molecular FormulaC11H19F6NO
Molecular Weight295.27 g/mol
Exact Mass295.14
IUPAC NameN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCC(C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO/c1-5-9(3,4)18-6-7(2)19-8(10(12,13)14)11(15,16)17/h7-8,18H,5-6H2,1-4H3
InChIKeyVMPVZIORVKISTH-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine (CID 102723301) is N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine is CCC(C)(C)NCC(C)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine?
The InChIKey is VMPVZIORVKISTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6NO/c1-5-9(3,4)18-6-7(2)19-8(10(12,13)14)11(15,16)17/h7-8,18H,5-6H2,1-4H3.
What are the key properties of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine?
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine has a molecular weight of 295.27 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine is sourced from PubChem (CID 102723301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).