3-[ethyl(2,2,2-trifluoroethyl)amino]propanal

C7H12F3NO — CID 63041477

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]propanal
SMILESCCN(CCC=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-11(4-3-5-12)6-7(8,9)10/h5H,2-4,6H2,1H3
InChIKeyMOWMZDFSGDCQSE-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.46
Rot. Bonds5

About 3-[ethyl(2,2,2-trifluoroethyl)amino]propanal

3-[ethyl(2,2,2-trifluoroethyl)amino]propanal (PubChem CID 63041477) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]propanal.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]propanal
PubChem CID63041477
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]propanal
SMILESCCN(CCC=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-11(4-3-5-12)6-7(8,9)10/h5H,2-4,6H2,1H3
InChIKeyMOWMZDFSGDCQSE-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Diethylamino)propanal
CID 429319
3-(Dimethylamino)propanal
CID 546946
3-[Bis(trifluoromethyl)amino]propanal
CID 58019316
3-[Methyl(2,2,2-trifluoroethyl)amino]propanal
CID 63039019
3-(Diethylamino)-2-fluoropropanoyl fluoride
CID 88613986
3-(Diethylamino)-3-fluoropropanoyl fluoride
CID 88613987
4-(Diethylamino)-3,4,4-trifluorobutanal
CID 121346862
4-(Diethylamino)-2,2,4-trifluorobutanal
CID 121348403
3-[3,3-Difluorobutyl(ethyl)amino]-2,2-dimethylpropanal
CID 143181550
3-(3,3-Difluoroazetidin-1-yl)propanal
CID 173558937
N,N-diethyl-2,2-difluoro-3-oxopropanamide
CID 15651592
2-[Propyl(2,2,2-trifluoroethyl)amino]acetaldehyde
CID 61741677

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]propanal?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]propanal (CID 63041477) is 3-[ethyl(2,2,2-trifluoroethyl)amino]propanal.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]propanal?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]propanal is CCN(CCC=O)CC(F)(F)F.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]propanal?
The InChIKey is MOWMZDFSGDCQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-11(4-3-5-12)6-7(8,9)10/h5H,2-4,6H2,1H3.
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]propanal?
3-[ethyl(2,2,2-trifluoroethyl)amino]propanal has a molecular weight of 183.17 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]propanal is sourced from PubChem (CID 63041477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).