N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine

C11H21F2NO — CID 103274349

IUPACN-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(OCC(F)F)CCC1
InChIInChI=1S/C11H21F2NO/c1-2-7-14-8-6-11(4-3-5-11)15-9-10(12)13/h10,14H,2-9H2,1H3
InChIKeyQQGOQBQMIPUXGZ-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.58
Rot. Bonds8

About N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine

N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine (PubChem CID 103274349) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine
PubChem CID103274349
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC NameN-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(OCC(F)F)CCC1
InChIInChI=1S/C11H21F2NO/c1-2-7-14-8-6-11(4-3-5-11)15-9-10(12)13/h10,14H,2-9H2,1H3
InChIKeyQQGOQBQMIPUXGZ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.58
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-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine (CID 103274349) is N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine is CCCNCCC1(OCC(F)F)CCC1.
What is the InChIKey of N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine?
The InChIKey is QQGOQBQMIPUXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-2-7-14-8-6-11(4-3-5-11)15-9-10(12)13/h10,14H,2-9H2,1H3.
What are the key properties of N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine?
N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103274349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).