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

C10H19F2NO — CID 103150690

IUPAC1-[2-(2,2-difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1(N)CCOCC(F)F
InChIInChI=1S/C10H19F2NO/c1-2-3-8-6-10(8,13)4-5-14-7-9(11)12/h8-9H,2-7,13H2,1H3
InChIKeyRSOAMVNBCMOFFJ-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.18
Rot. Bonds7

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

1-[2-(2,2-difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine (PubChem CID 103150690) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine
PubChem CID103150690
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-[2-(2,2-difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1(N)CCOCC(F)F
InChIInChI=1S/C10H19F2NO/c1-2-3-8-6-10(8,13)4-5-14-7-9(11)12/h8-9H,2-7,13H2,1H3
InChIKeyRSOAMVNBCMOFFJ-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 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 ≤ 52.18
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-propylcyclopropan-1-amine?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine (CID 103150690) is 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine is CCCC1CC1(N)CCOCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine?
The InChIKey is RSOAMVNBCMOFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-2-3-8-6-10(8,13)4-5-14-7-9(11)12/h8-9H,2-7,13H2,1H3.
What are the key properties of 1-[2-(2,2-difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine?
1-[2-(2,2-difluoroethoxy)ethyl]-2-propylcyclopropan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.18, 7 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-propylcyclopropan-1-amine is sourced from PubChem (CID 103150690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).