2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine

C10H19F2NO — CID 126845172

IUPAC2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine
SMILESCCNCCOCC1C(C)(C)C1(F)F
InChIInChI=1S/C10H19F2NO/c1-4-13-5-6-14-7-8-9(2,3)10(8,11)12/h8,13H,4-7H2,1-3H3
InChIKeyWCCHJUZBEZKGFJ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.90
Rot. Bonds6

About 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine

2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine (PubChem CID 126845172) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine
PubChem CID126845172
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine
SMILESCCNCCOCC1C(C)(C)C1(F)F
InChIInChI=1S/C10H19F2NO/c1-4-13-5-6-14-7-8-9(2,3)10(8,11)12/h8,13H,4-7H2,1-3H3
InChIKeyWCCHJUZBEZKGFJ-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.90
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 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine?
The IUPAC name of 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine (CID 126845172) is 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine?
The canonical SMILES for 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine is CCNCCOCC1C(C)(C)C1(F)F.
What is the InChIKey of 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine?
The InChIKey is WCCHJUZBEZKGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-4-13-5-6-14-7-8-9(2,3)10(8,11)12/h8,13H,4-7H2,1-3H3.
What are the key properties of 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine?
2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine has a molecular weight of 207.26 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine is sourced from PubChem (CID 126845172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).