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

C9H16F3NO — CID 66359594

IUPACN-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCCCNC1CC(OCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-2-3-13-7-4-8(5-7)14-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyLTWPUZCNCRYTAN-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds5

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

N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (PubChem CID 66359594) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
PubChem CID66359594
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCCCNC1CC(OCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-2-3-13-7-4-8(5-7)14-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyLTWPUZCNCRYTAN-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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The IUPAC name of N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (CID 66359594) is N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.
What is the SMILES notation for N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The canonical SMILES for N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is CCCNC1CC(OCC(F)(F)F)C1.
What is the InChIKey of N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The InChIKey is LTWPUZCNCRYTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-3-13-7-4-8(5-7)14-6-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
N-propyl-3-(2,2,2-trifluoroethoxy)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 N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is sourced from PubChem (CID 66359594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).