3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine

C10H18F3NO — CID 104860323

IUPAC3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
SMILESCCOC1CC(NC(C)CC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-3-15-9-4-8(5-9)14-7(2)6-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyWSYQNQWABZAJIZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.48
Rot. Bonds5

About 3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine

3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine (PubChem CID 104860323) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
PubChem CID104860323
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
SMILESCCOC1CC(NC(C)CC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-3-15-9-4-8(5-9)14-7(2)6-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyWSYQNQWABZAJIZ-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 66356960
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
[2,2-Difluoro-3-(propan-2-yloxy)propyl](ethyl)amine
CID 134579334
[3-(Tert-butoxy)-2,2-difluoropropyl](propan-2-yl)amine
CID 135173990
N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 142009793
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
2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine
CID 162608167
3-(3-amino-2,2-difluoropropoxy)-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 166923577
3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine
CID 170154282

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine (CID 104860323) is 3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine is CCOC1CC(NC(C)CC(F)(F)F)C1.
What is the InChIKey of 3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The InChIKey is WSYQNQWABZAJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-15-9-4-8(5-9)14-7(2)6-10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 104860323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).