N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine

C7H12F3NO — CID 170420954

IUPACN-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine
SMILESCCNC1CC(OC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-2-11-5-3-6(4-5)12-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyCCSNWVZOSUUXRF-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.66
Rot. Bonds3

About N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine

N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine (PubChem CID 170420954) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine
PubChem CID170420954
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine
SMILESCCNC1CC(OC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-2-11-5-3-6(4-5)12-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyCCSNWVZOSUUXRF-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(1r,3r)-3-methoxy-N-methylcyclobutan-1-amine
CID 55295891
(1s,3s)-3-(Difluoromethoxy)cyclobutan-1-amine
CID 114782804
N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 66356960
4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine
CID 83827235
3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine
CID 114782799
cis-3-(Trifluoromethoxy)cyclobutanamine
CID 146082150
N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 155122294
N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 155138949
4,4,4-trifluoro-3-methoxy-N-propan-2-ylbutan-1-amine
CID 155139108
N-propylcyclobutanamine;1-(trifluoromethoxy)butane
CID 172335452
N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 175543881
N-methyl-3-(trifluoromethoxy)butan-1-amine
CID 178126926

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine?
The IUPAC name of N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine (CID 170420954) is N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine is CCNC1CC(OC(F)(F)F)C1.
What is the InChIKey of N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine?
The InChIKey is CCSNWVZOSUUXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-11-5-3-6(4-5)12-7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine?
N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine has a molecular weight of 183.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine is sourced from PubChem (CID 170420954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).