1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C11H20F3NO — CID 103215431

IUPAC1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)CC1CC1
InChIInChI=1S/C11H20F3NO/c1-2-5-15-10(6-9-3-4-9)7-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyWREOTKUWVRJGCB-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds8

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

1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215431) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215431
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)CC1CC1
InChIInChI=1S/C11H20F3NO/c1-2-5-15-10(6-9-3-4-9)7-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyWREOTKUWVRJGCB-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215431) is 1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCCNC(COCC(F)(F)F)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is WREOTKUWVRJGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-5-15-10(6-9-3-4-9)7-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).