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

C7H13F2NO — CID 169170522

IUPAC3-[2,2-difluoroethyl(ethyl)amino]propanal
SMILESCCN(CCC=O)CC(F)F
InChIInChI=1S/C7H13F2NO/c1-2-10(4-3-5-11)6-7(8)9/h5,7H,2-4,6H2,1H3
InChIKeyWGGFHIPCXSSCSC-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.16
Rot. Bonds6

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

3-[2,2-difluoroethyl(ethyl)amino]propanal (PubChem CID 169170522) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(ethyl)amino]propanal.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(ethyl)amino]propanal
PubChem CID169170522
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-[2,2-difluoroethyl(ethyl)amino]propanal
SMILESCCN(CCC=O)CC(F)F
InChIInChI=1S/C7H13F2NO/c1-2-10(4-3-5-11)6-7(8)9/h5,7H,2-4,6H2,1H3
InChIKeyWGGFHIPCXSSCSC-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
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 3-[2,2-difluoroethyl(ethyl)amino]propanal?
The IUPAC name of 3-[2,2-difluoroethyl(ethyl)amino]propanal (CID 169170522) is 3-[2,2-difluoroethyl(ethyl)amino]propanal.
What is the SMILES notation for 3-[2,2-difluoroethyl(ethyl)amino]propanal?
The canonical SMILES for 3-[2,2-difluoroethyl(ethyl)amino]propanal is CCN(CCC=O)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(ethyl)amino]propanal?
The InChIKey is WGGFHIPCXSSCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-2-10(4-3-5-11)6-7(8)9/h5,7H,2-4,6H2,1H3.
What are the key properties of 3-[2,2-difluoroethyl(ethyl)amino]propanal?
3-[2,2-difluoroethyl(ethyl)amino]propanal has a molecular weight of 165.18 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(ethyl)amino]propanal is sourced from PubChem (CID 169170522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).