N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

C13H24F3NO — CID 66351185

IUPACN,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCCNC1CC(OC(C)C(F)(F)F)C1(CC)CC
InChIInChI=1S/C13H24F3NO/c1-5-12(6-2)10(17-7-3)8-11(12)18-9(4)13(14,15)16/h9-11,17H,5-8H2,1-4H3
InChIKeyWKIUSGAZLVZXSQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds6

About N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (PubChem CID 66351185) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
PubChem CID66351185
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCCNC1CC(OC(C)C(F)(F)F)C1(CC)CC
InChIInChI=1S/C13H24F3NO/c1-5-12(6-2)10(17-7-3)8-11(12)18-9(4)13(14,15)16/h9-11,17H,5-8H2,1-4H3
InChIKeyWKIUSGAZLVZXSQ-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (CID 66351185) is N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is CCNC1CC(OC(C)C(F)(F)F)C1(CC)CC.
What is the InChIKey of N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The InChIKey is WKIUSGAZLVZXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-5-12(6-2)10(17-7-3)8-11(12)18-9(4)13(14,15)16/h9-11,17H,5-8H2,1-4H3.
What are the key properties of N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66351185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).