2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C11H20F3NO — CID 83147885

IUPAC2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNCC(C)(CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C11H20F3NO/c1-10(7-15-2,9-3-4-9)5-6-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyQZDFSLQSQPGJSH-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.59
Rot. Bonds7

About 2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 83147885) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID83147885
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNCC(C)(CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C11H20F3NO/c1-10(7-15-2,9-3-4-9)5-6-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyQZDFSLQSQPGJSH-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.59
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 2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 83147885) is 2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CNCC(C)(CCOCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is QZDFSLQSQPGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(7-15-2,9-3-4-9)5-6-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 83147885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).