1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine

C12H23F2NO — CID 103149648

IUPAC1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
SMILESCCNC(CCOCC(F)F)CC1CCC1
InChIInChI=1S/C12H23F2NO/c1-2-15-11(8-10-4-3-5-10)6-7-16-9-12(13)14/h10-12,15H,2-9H2,1H3
InChIKeyPPQMWQIQIVRGFR-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.83
Rot. Bonds9

About 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine

1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine (PubChem CID 103149648) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
PubChem CID103149648
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
SMILESCCNC(CCOCC(F)F)CC1CCC1
InChIInChI=1S/C12H23F2NO/c1-2-15-11(8-10-4-3-5-10)6-7-16-9-12(13)14/h10-12,15H,2-9H2,1H3
InChIKeyPPQMWQIQIVRGFR-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.83
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-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine?
The IUPAC name of 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine (CID 103149648) is 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine.
What is the SMILES notation for 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine?
The canonical SMILES for 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine is CCNC(CCOCC(F)F)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine?
The InChIKey is PPQMWQIQIVRGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-2-15-11(8-10-4-3-5-10)6-7-16-9-12(13)14/h10-12,15H,2-9H2,1H3.
What are the key properties of 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine?
1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine has a molecular weight of 235.32 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine is sourced from PubChem (CID 103149648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).