2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde

C7H10F3NO — CID 174900366

IUPAC2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde
SMILESO=CCNC1(C(F)(F)F)CCC1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6(2-1-3-6)11-4-5-12/h5,11H,1-4H2
InChIKeyMOXWUEPMBLGTKM-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.26
Rot. Bonds3

About 2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde

2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde (PubChem CID 174900366) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde
PubChem CID174900366
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde
SMILESO=CCNC1(C(F)(F)F)CCC1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6(2-1-3-6)11-4-5-12/h5,11H,1-4H2
InChIKeyMOXWUEPMBLGTKM-UHFFFAOYSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde?
The IUPAC name of 2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde (CID 174900366) is 2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde.
What is the SMILES notation for 2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde?
The canonical SMILES for 2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde is O=CCNC1(C(F)(F)F)CCC1.
What is the InChIKey of 2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde?
The InChIKey is MOXWUEPMBLGTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)6(2-1-3-6)11-4-5-12/h5,11H,1-4H2.
What are the key properties of 2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde?
2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde has a molecular weight of 181.16 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(trifluoromethyl)cyclobutyl]amino]acetaldehyde is sourced from PubChem (CID 174900366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).