N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine

C13H26F3NO — CID 59203956

IUPACN-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
SMILESCCCCN(CCCC)CCOC(C)C(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-4-6-8-17(9-7-5-2)10-11-18-12(3)13(14,15)16/h12H,4-11H2,1-3H3
InChIKeyWQVZASXQRCRUCN-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.86
Rot. Bonds10

About N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine

N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine (PubChem CID 59203956) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
PubChem CID59203956
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC NameN-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
SMILESCCCCN(CCCC)CCOC(C)C(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-4-6-8-17(9-7-5-2)10-11-18-12(3)13(14,15)16/h12H,4-11H2,1-3H3
InChIKeyWQVZASXQRCRUCN-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine?
The IUPAC name of N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine (CID 59203956) is N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine is CCCCN(CCCC)CCOC(C)C(F)(F)F.
What is the InChIKey of N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine?
The InChIKey is WQVZASXQRCRUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-4-6-8-17(9-7-5-2)10-11-18-12(3)13(14,15)16/h12H,4-11H2,1-3H3.
What are the key properties of N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine?
N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine is sourced from PubChem (CID 59203956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).