N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine

C9H18F3NO — CID 62445777

IUPACN-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCNCC(OCC(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3NO/c1-4-13-5-8(7(2)3)14-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyLXNXZEBYYODUET-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.20
Rot. Bonds6

About N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine

N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62445777) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62445777
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC NameN-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCNCC(OCC(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3NO/c1-4-13-5-8(7(2)3)14-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyLXNXZEBYYODUET-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62445777) is N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine is CCNCC(OCC(F)(F)F)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is LXNXZEBYYODUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-4-13-5-8(7(2)3)14-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62445777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).