3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine

C9H16F3NO — CID 112553169

IUPAC3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-2-14-8-5-7(6-8)13-4-3-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeySOKYPSFCGLPQEL-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds5

About 3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine

3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine (PubChem CID 112553169) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
PubChem CID112553169
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-2-14-8-5-7(6-8)13-4-3-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeySOKYPSFCGLPQEL-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine (CID 112553169) is 3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine is CCOC1CC(NCCC(F)(F)F)C1.
What is the InChIKey of 3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The InChIKey is SOKYPSFCGLPQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-14-8-5-7(6-8)13-4-3-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine is sourced from PubChem (CID 112553169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).