N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine

C10H19F2NO2 — CID 103082727

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCCOCC(F)F)C1
InChIInChI=1S/C10H19F2NO2/c1-2-15-9-5-8(6-9)13-3-4-14-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyGZXGKFVVIPWUMF-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.43
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine (PubChem CID 103082727) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine
PubChem CID103082727
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCCOCC(F)F)C1
InChIInChI=1S/C10H19F2NO2/c1-2-15-9-5-8(6-9)13-3-4-14-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyGZXGKFVVIPWUMF-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.43
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-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine (CID 103082727) is N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine is CCOC1CC(NCCOCC(F)F)C1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine?
The InChIKey is GZXGKFVVIPWUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-2-15-9-5-8(6-9)13-3-4-14-7-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine has a molecular weight of 223.26 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 103082727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).