N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

C9H16F3NO — CID 66359593

IUPACN,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCNC1CC(OCC(F)(F)F)C1(C)C
InChIInChI=1S/C9H16F3NO/c1-8(2)6(13-3)4-7(8)14-5-9(10,11)12/h6-7,13H,4-5H2,1-3H3
InChIKeyZQPGEHGLDODUQD-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.95
Rot. Bonds3

About N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (PubChem CID 66359593) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
PubChem CID66359593
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCNC1CC(OCC(F)(F)F)C1(C)C
InChIInChI=1S/C9H16F3NO/c1-8(2)6(13-3)4-7(8)14-5-9(10,11)12/h6-7,13H,4-5H2,1-3H3
InChIKeyZQPGEHGLDODUQD-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (CID 66359593) is N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is CNC1CC(OCC(F)(F)F)C1(C)C.
What is the InChIKey of N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The InChIKey is ZQPGEHGLDODUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(2)6(13-3)4-7(8)14-5-9(10,11)12/h6-7,13H,4-5H2,1-3H3.
What are the key properties of N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is sourced from PubChem (CID 66359593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).