N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine

C10H18F3NO — CID 103163440

IUPACN-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine
SMILESCCOC1CC(CCNCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-2-15-9-5-8(6-9)3-4-14-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyCBDBUDHOEZDGCS-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds6

About N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 103163440) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID103163440
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine
SMILESCCOC1CC(CCNCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-2-15-9-5-8(6-9)3-4-14-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyCBDBUDHOEZDGCS-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine (CID 103163440) is N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine is CCOC1CC(CCNCC(F)(F)F)C1.
What is the InChIKey of N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is CBDBUDHOEZDGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-15-9-5-8(6-9)3-4-14-7-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine 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 N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 103163440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).