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

C8H14F3NO — CID 178108712

IUPACN-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine
SMILESCCN(C)C1CC(OC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-3-12(2)6-4-7(5-6)13-8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyZRTZPNKXRTZCGC-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.01
Rot. Bonds3

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

N-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine (PubChem CID 178108712) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine
PubChem CID178108712
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine
SMILESCCN(C)C1CC(OC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-3-12(2)6-4-7(5-6)13-8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyZRTZPNKXRTZCGC-UHFFFAOYSA-N
XLogP2.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine?
The IUPAC name of N-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine (CID 178108712) is N-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine is CCN(C)C1CC(OC(F)(F)F)C1.
What is the InChIKey of N-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine?
The InChIKey is ZRTZPNKXRTZCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-3-12(2)6-4-7(5-6)13-8(9,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine?
N-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine is sourced from PubChem (CID 178108712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).