1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C10H18F3NO — CID 115713526

IUPAC1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)C1CCC1
InChIInChI=1S/C10H18F3NO/c1-8(9-3-2-4-9)14-5-6-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyOSRDVPIASDJJQV-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds6

About 1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 115713526) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID115713526
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)C1CCC1
InChIInChI=1S/C10H18F3NO/c1-8(9-3-2-4-9)14-5-6-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyOSRDVPIASDJJQV-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
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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Related Compounds

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
3-(3,3-Difluorocyclobutyl)morpholine
CID 138987337
1,1,1,6,6,6-hexafluoro-N-(1-methoxypropan-2-yl)-3-methylhexan-3-amine
CID 117840547
N-[(4S)-4-fluoro-3-propan-2-ylhexyl]oxetan-3-amine
CID 137537142
2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine
CID 158575551
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962010
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
4-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 55032057
5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine
CID 55092962
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 60732572
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733031
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733194

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 115713526) is 1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is CC(NCCOCC(F)(F)F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is OSRDVPIASDJJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(9-3-2-4-9)14-5-6-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 115713526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).