N-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine

C9H16F3NO — CID 82794411

IUPACN-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine
SMILESCNC1CC(OCCCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-13-7-5-8(6-7)14-4-2-3-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyZYQFPOXGBCQNSO-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds5

About N-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine

N-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine (PubChem CID 82794411) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine
PubChem CID82794411
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine
SMILESCNC1CC(OCCCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-13-7-5-8(6-7)14-4-2-3-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyZYQFPOXGBCQNSO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine?
The IUPAC name of N-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine (CID 82794411) is N-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine?
The canonical SMILES for N-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine is CNC1CC(OCCCC(F)(F)F)C1.
What is the InChIKey of N-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine?
The InChIKey is ZYQFPOXGBCQNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-7-5-8(6-7)14-4-2-3-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of N-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine?
N-methyl-3-(4,4,4-trifluorobutoxy)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-methyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine is sourced from PubChem (CID 82794411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).