N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine

C7H15F2NO — CID 62342201

IUPACN-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
SMILESCC(C)NCCOCC(F)F
InChIInChI=1S/C7H15F2NO/c1-6(2)10-3-4-11-5-7(8)9/h6-7,10H,3-5H2,1-2H3
InChIKeyOMUDDTOKSBDANG-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.27
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine (PubChem CID 62342201) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
PubChem CID62342201
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
SMILESCC(C)NCCOCC(F)F
InChIInChI=1S/C7H15F2NO/c1-6(2)10-3-4-11-5-7(8)9/h6-7,10H,3-5H2,1-2H3
InChIKeyOMUDDTOKSBDANG-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.27
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-(2,2-difluoroethoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine (CID 62342201) is N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine is CC(C)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine?
The InChIKey is OMUDDTOKSBDANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-6(2)10-3-4-11-5-7(8)9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine has a molecular weight of 167.20 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62342201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).