2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine

C8H15F2NO — CID 84718112

IUPAC2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine
SMILESCNCC(OC(F)F)C1CCC1
InChIInChI=1S/C8H15F2NO/c1-11-5-7(12-8(9)10)6-3-2-4-6/h6-8,11H,2-5H2,1H3
InChIKeyVQKXNYWVAWJHTF-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.61
Rot. Bonds5

About 2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine

2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine (PubChem CID 84718112) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine
PubChem CID84718112
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine
SMILESCNCC(OC(F)F)C1CCC1
InChIInChI=1S/C8H15F2NO/c1-11-5-7(12-8(9)10)6-3-2-4-6/h6-8,11H,2-5H2,1H3
InChIKeyVQKXNYWVAWJHTF-UHFFFAOYSA-N
XLogP1.61
TPSA21.26 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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-Difluorocyclobutyl)-2-methoxyethan-1-amine
CID 138039664
1-(3,3-Difluorocyclobutyl)-2-(methylamino)ethan-1-ol hydrochloride
CID 165664436
N-methyl-2-[3-(trifluoromethoxy)cyclobutyl]ethanamine
CID 155122210
N,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 80447254
2-Cyclobutyl-2-(difluoromethoxy)ethanamine
CID 84717024
1-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine
CID 84718116
2-(difluoromethoxy)-N,4-dimethylpentan-1-amine
CID 84718522
3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine
CID 84720004
2-cyclopentyl-2-(difluoromethoxy)-N-methylethanamine
CID 84720006
N-[2-(3-ethoxycyclobutyl)ethyl]-2,2,2-trifluoroethanamine
CID 103163440
N-[2-(3-ethoxycyclobutyl)ethyl]-2,2-difluoroethanamine
CID 103163444
1-cyclobutyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216406

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine?
The IUPAC name of 2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine (CID 84718112) is 2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine.
What is the SMILES notation for 2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine?
The canonical SMILES for 2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine is CNCC(OC(F)F)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine?
The InChIKey is VQKXNYWVAWJHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-5-7(12-8(9)10)6-3-2-4-6/h6-8,11H,2-5H2,1H3.
What are the key properties of 2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine?
2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine has a molecular weight of 179.21 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-(difluoromethoxy)-N-methylethanamine is sourced from PubChem (CID 84718112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).