N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine

C10H18F3NO — CID 155346504

IUPACN-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCC(C)NCCC1CC(OC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7(2)14-4-3-8-5-9(6-8)15-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyGHOCTKDKEXONCQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.69
Rot. Bonds5

About N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine

N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine (PubChem CID 155346504) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine
PubChem CID155346504
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine
SMILESCC(C)NCCC1CC(OC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7(2)14-4-3-8-5-9(6-8)15-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyGHOCTKDKEXONCQ-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine (CID 155346504) is N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine is CC(C)NCCC1CC(OC(F)(F)F)C1.
What is the InChIKey of N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine?
The InChIKey is GHOCTKDKEXONCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)14-4-3-8-5-9(6-8)15-10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine?
N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine is sourced from PubChem (CID 155346504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).