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

C10H19F2NO — CID 103163444

IUPACN-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine
SMILESCCOC1CC(CCNCC(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-2-14-9-5-8(6-9)3-4-13-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyPMKBKDDYPKFRGA-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.05
Rot. Bonds7

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

N-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine (PubChem CID 103163444) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is N-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine
PubChem CID103163444
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC NameN-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine
SMILESCCOC1CC(CCNCC(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-2-14-9-5-8(6-9)3-4-13-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyPMKBKDDYPKFRGA-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.05
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-difluoroethanamine?
The IUPAC name of N-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine (CID 103163444) is N-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine is CCOC1CC(CCNCC(F)F)C1.
What is the InChIKey of N-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine?
The InChIKey is PMKBKDDYPKFRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-2-14-9-5-8(6-9)3-4-13-7-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of N-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine?
N-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine has a molecular weight of 207.26 g/mol, XLogP of 2.05, 7 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-difluoroethanamine is sourced from PubChem (CID 103163444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).