N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine

C11H22F3NO2 — CID 103148549

IUPACN-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCCNC(CCOCC(F)(F)F)COC(C)C
InChIInChI=1S/C11H22F3NO2/c1-4-15-10(7-17-9(2)3)5-6-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyCMOYEOQAAJPHOR-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.36
Rot. Bonds9

About N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine

N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103148549) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103148549
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC NameN-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCCNC(CCOCC(F)(F)F)COC(C)C
InChIInChI=1S/C11H22F3NO2/c1-4-15-10(7-17-9(2)3)5-6-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyCMOYEOQAAJPHOR-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103148549) is N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine is CCNC(CCOCC(F)(F)F)COC(C)C.
What is the InChIKey of N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is CMOYEOQAAJPHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-4-15-10(7-17-9(2)3)5-6-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine?
N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 257.30 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).