3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine

C10H20F3NO — CID 61490529

IUPAC3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
SMILESCCC(C)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-8(2)9(3)14-5-6-15-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyBUFDTGPCASPISC-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds7

About 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine

3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine (PubChem CID 61490529) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
PubChem CID61490529
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
SMILESCCC(C)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-8(2)9(3)14-5-6-15-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyBUFDTGPCASPISC-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine?
The IUPAC name of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine (CID 61490529) is 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine?
The canonical SMILES for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine is CCC(C)C(C)NCCOCC(F)(F)F.
What is the InChIKey of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine?
The InChIKey is BUFDTGPCASPISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-8(2)9(3)14-5-6-15-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine?
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine is sourced from PubChem (CID 61490529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).