1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine

C8H15F2NO — CID 103150686

IUPAC1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1(N)CCOCC(F)F
InChIInChI=1S/C8H15F2NO/c1-6-4-8(6,11)2-3-12-5-7(9)10/h6-7H,2-5,11H2,1H3
InChIKeyANNHDLQMYVMAKN-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.40
Rot. Bonds5

About 1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine

1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine (PubChem CID 103150686) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine
PubChem CID103150686
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1(N)CCOCC(F)F
InChIInChI=1S/C8H15F2NO/c1-6-4-8(6,11)2-3-12-5-7(9)10/h6-7H,2-5,11H2,1H3
InChIKeyANNHDLQMYVMAKN-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.40
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 1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine (CID 103150686) is 1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine is CC1CC1(N)CCOCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine?
The InChIKey is ANNHDLQMYVMAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-4-8(6,11)2-3-12-5-7(9)10/h6-7H,2-5,11H2,1H3.
What are the key properties of 1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine?
1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine has a molecular weight of 179.21 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 103150686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).