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

C12H22F3NO — CID 103215398

IUPAC1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)CC1CCC1
InChIInChI=1S/C12H22F3NO/c1-2-6-16-11(7-10-4-3-5-10)8-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyQTWQYNDIXHLMDX-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds8

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

1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215398) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215398
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)CC1CCC1
InChIInChI=1S/C12H22F3NO/c1-2-6-16-11(7-10-4-3-5-10)8-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyQTWQYNDIXHLMDX-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215398) is 1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCCNC(COCC(F)(F)F)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is QTWQYNDIXHLMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-6-16-11(7-10-4-3-5-10)8-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3.
What are the key properties of 1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).