N-(2,2,3-trifluorobutoxy)propan-2-imine

C7H12F3NO — CID 170063019

IUPACN-(2,2,3-trifluorobutoxy)propan-2-imine
SMILESCC(C)=NOCC(F)(F)C(C)F
InChIInChI=1S/C7H12F3NO/c1-5(2)11-12-4-7(9,10)6(3)8/h6H,4H2,1-3H3
InChIKeyCQXBFSAHCHSOGZ-UHFFFAOYSA-N
MW183.17 g/mol
LogP2.39
Rot. Bonds4

About N-(2,2,3-trifluorobutoxy)propan-2-imine

N-(2,2,3-trifluorobutoxy)propan-2-imine (PubChem CID 170063019) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2,2,3-trifluorobutoxy)propan-2-imine.

Molecular Properties

Compound NameN-(2,2,3-trifluorobutoxy)propan-2-imine
PubChem CID170063019
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-(2,2,3-trifluorobutoxy)propan-2-imine
SMILESCC(C)=NOCC(F)(F)C(C)F
InChIInChI=1S/C7H12F3NO/c1-5(2)11-12-4-7(9,10)6(3)8/h6H,4H2,1-3H3
InChIKeyCQXBFSAHCHSOGZ-UHFFFAOYSA-N
XLogP2.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,3-trifluorobutoxy)propan-2-imine?
The IUPAC name of N-(2,2,3-trifluorobutoxy)propan-2-imine (CID 170063019) is N-(2,2,3-trifluorobutoxy)propan-2-imine.
What is the SMILES notation for N-(2,2,3-trifluorobutoxy)propan-2-imine?
The canonical SMILES for N-(2,2,3-trifluorobutoxy)propan-2-imine is CC(C)=NOCC(F)(F)C(C)F.
What is the InChIKey of N-(2,2,3-trifluorobutoxy)propan-2-imine?
The InChIKey is CQXBFSAHCHSOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-5(2)11-12-4-7(9,10)6(3)8/h6H,4H2,1-3H3.
What are the key properties of N-(2,2,3-trifluorobutoxy)propan-2-imine?
N-(2,2,3-trifluorobutoxy)propan-2-imine has a molecular weight of 183.17 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3-trifluorobutoxy)propan-2-imine is sourced from PubChem (CID 170063019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).