N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine

C11H19F6NO — CID 102721965

IUPACN-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine
SMILESCCNC(COC(C(F)(F)F)C(F)(F)F)C(C)CC
InChIInChI=1S/C11H19F6NO/c1-4-7(3)8(18-5-2)6-19-9(10(12,13)14)11(15,16)17/h7-9,18H,4-6H2,1-3H3
InChIKeyQZBVLUYYEFNIGR-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.52
Rot. Bonds7

About N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine

N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine (PubChem CID 102721965) has the molecular formula C11H19F6NO and a molecular weight of 295.27 g/mol. Its IUPAC name is N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine
PubChem CID102721965
Molecular FormulaC11H19F6NO
Molecular Weight295.27 g/mol
Exact Mass295.14
IUPAC NameN-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine
SMILESCCNC(COC(C(F)(F)F)C(F)(F)F)C(C)CC
InChIInChI=1S/C11H19F6NO/c1-4-7(3)8(18-5-2)6-19-9(10(12,13)14)11(15,16)17/h7-9,18H,4-6H2,1-3H3
InChIKeyQZBVLUYYEFNIGR-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine?
The IUPAC name of N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine (CID 102721965) is N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine?
The canonical SMILES for N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine is CCNC(COC(C(F)(F)F)C(F)(F)F)C(C)CC.
What is the InChIKey of N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine?
The InChIKey is QZBVLUYYEFNIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6NO/c1-4-7(3)8(18-5-2)6-19-9(10(12,13)14)11(15,16)17/h7-9,18H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine?
N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine has a molecular weight of 295.27 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine is sourced from PubChem (CID 102721965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).