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

C8H14F3NO — CID 63041669

IUPAC3-[propyl(2,2,2-trifluoroethyl)amino]propanal
SMILESCCCN(CCC=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-4-12(5-3-6-13)7-8(9,10)11/h6H,2-5,7H2,1H3
InChIKeyRKDUYLNDVUWQSK-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.85
Rot. Bonds6

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

3-[propyl(2,2,2-trifluoroethyl)amino]propanal (PubChem CID 63041669) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-[propyl(2,2,2-trifluoroethyl)amino]propanal.

Molecular Properties

Compound Name3-[propyl(2,2,2-trifluoroethyl)amino]propanal
PubChem CID63041669
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-[propyl(2,2,2-trifluoroethyl)amino]propanal
SMILESCCCN(CCC=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-4-12(5-3-6-13)7-8(9,10)11/h6H,2-5,7H2,1H3
InChIKeyRKDUYLNDVUWQSK-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.85
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-[Bis(trifluoromethyl)amino]propanal
CID 58019316
3-[Methyl(2,2,2-trifluoroethyl)amino]propanal
CID 63039019
N,N-diethylethanamine;2,2,2-trifluoroacetaldehyde
CID 87553443
4-(Diethylamino)-3,4,4-trifluorobutanal
CID 121346862
4-(Diethylamino)-2,3,4-trifluorobutanal
CID 121348402
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
2-[Propyl(2,2,2-trifluoroethyl)amino]acetaldehyde
CID 61741677
2,2-Dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal
CID 62276022
2,2-Dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
CID 62276597

Frequently Asked Questions

What is the IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]propanal?
The IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]propanal (CID 63041669) is 3-[propyl(2,2,2-trifluoroethyl)amino]propanal.
What is the SMILES notation for 3-[propyl(2,2,2-trifluoroethyl)amino]propanal?
The canonical SMILES for 3-[propyl(2,2,2-trifluoroethyl)amino]propanal is CCCN(CCC=O)CC(F)(F)F.
What is the InChIKey of 3-[propyl(2,2,2-trifluoroethyl)amino]propanal?
The InChIKey is RKDUYLNDVUWQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-4-12(5-3-6-13)7-8(9,10)11/h6H,2-5,7H2,1H3.
What are the key properties of 3-[propyl(2,2,2-trifluoroethyl)amino]propanal?
3-[propyl(2,2,2-trifluoroethyl)amino]propanal has a molecular weight of 197.20 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl(2,2,2-trifluoroethyl)amino]propanal is sourced from PubChem (CID 63041669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).