N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine

C12H17F6NO — CID 103274527

IUPACN-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine
SMILESFC(F)(F)C(OC1(CCNC2CC2)CCC1)C(F)(F)F
InChIInChI=1S/C12H17F6NO/c13-11(14,15)9(12(16,17)18)20-10(4-1-5-10)6-7-19-8-2-3-8/h8-9,19H,1-7H2
InChIKeyJHBWKSDDWQJCBE-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.56
Rot. Bonds6

About N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine

N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine (PubChem CID 103274527) has the molecular formula C12H17F6NO and a molecular weight of 305.26 g/mol. Its IUPAC name is N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine
PubChem CID103274527
Molecular FormulaC12H17F6NO
Molecular Weight305.26 g/mol
Exact Mass305.12
IUPAC NameN-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine
SMILESFC(F)(F)C(OC1(CCNC2CC2)CCC1)C(F)(F)F
InChIInChI=1S/C12H17F6NO/c13-11(14,15)9(12(16,17)18)20-10(4-1-5-10)6-7-19-8-2-3-8/h8-9,19H,1-7H2
InChIKeyJHBWKSDDWQJCBE-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-cyclopentyloxycyclobutyl)ethyl]cyclopropanamine
CID 103273019
N-[2-[1-(2-methylpropoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273104
N-[2-[1-[2-(dimethylamino)ethoxy]cyclobutyl]ethyl]cyclopropanamine
CID 103273656
N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274410
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
CID 102723011
N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273516
N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274216
N-[2-[1-(2-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273773
N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274069
N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274011
N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273919
N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine
CID 103274208

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine (CID 103274527) is N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine is FC(F)(F)C(OC1(CCNC2CC2)CCC1)C(F)(F)F.
What is the InChIKey of N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine?
The InChIKey is JHBWKSDDWQJCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F6NO/c13-11(14,15)9(12(16,17)18)20-10(4-1-5-10)6-7-19-8-2-3-8/h8-9,19H,1-7H2.
What are the key properties of N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine?
N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine has a molecular weight of 305.26 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine is sourced from PubChem (CID 103274527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).