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

C7H12F3NO — CID 175543881

IUPACN-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCNC1CC(OC(F)C(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-11-4-2-5(3-4)12-7(10)6(8)9/h4-7,11H,2-3H2,1H3
InChIKeyMBJWXDHSHYJAQG-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.31
Rot. Bonds4

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

N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine (PubChem CID 175543881) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine
PubChem CID175543881
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCNC1CC(OC(F)C(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-11-4-2-5(3-4)12-7(10)6(8)9/h4-7,11H,2-3H2,1H3
InChIKeyMBJWXDHSHYJAQG-UHFFFAOYSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine?
The IUPAC name of N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine (CID 175543881) is N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine?
The canonical SMILES for N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine is CNC1CC(OC(F)C(F)F)C1.
What is the InChIKey of N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine?
The InChIKey is MBJWXDHSHYJAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11-4-2-5(3-4)12-7(10)6(8)9/h4-7,11H,2-3H2,1H3.
What are the key properties of N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine?
N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine has a molecular weight of 183.17 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine is sourced from PubChem (CID 175543881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).