3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

C9H16F3NO — CID 103562243

IUPAC3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCC(C)C1CC(NOCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-6(2)7-3-8(4-7)13-14-5-9(10,11)12/h6-8,13H,3-5H2,1-2H3
InChIKeyXCMGCLDAAZJBTB-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.50
Rot. Bonds4

About 3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (PubChem CID 103562243) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
PubChem CID103562243
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCC(C)C1CC(NOCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-6(2)7-3-8(4-7)13-14-5-9(10,11)12/h6-8,13H,3-5H2,1-2H3
InChIKeyXCMGCLDAAZJBTB-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trifluoroethoxy)cyclobutanamine
CID 82711029
3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711250
3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82721769
3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711132
4-propyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711765
N-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-2-amine
CID 82710873
N-(3-propan-2-ylcyclobutyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 103561117
N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 82711105
tert-butyl 3-(2,2,2-trifluoroethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103867606
5,5-dimethyl-N-(2,2,2-trifluoroethoxy)thian-3-amine
CID 82710643
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711561
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62109071

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The IUPAC name of 3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (CID 103562243) is 3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is CC(C)C1CC(NOCC(F)(F)F)C1.
What is the InChIKey of 3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The InChIKey is XCMGCLDAAZJBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(2)7-3-8(4-7)13-14-5-9(10,11)12/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is sourced from PubChem (CID 103562243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).