3-(dimethylamino)propanal;fluoromethane

C6H14FNO — CID 163236166

IUPAC3-(dimethylamino)propanal;fluoromethane
SMILESCF.CN(C)CCC=O
InChIInChI=1S/C5H11NO.CH3F/c1-6(2)4-3-5-7;1-2/h5H,3-4H2,1-2H3;1H3
InChIKeyPZBMMCQZZRJURY-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.72
Rot. Bonds3

About 3-(dimethylamino)propanal;fluoromethane

3-(dimethylamino)propanal;fluoromethane (PubChem CID 163236166) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 3-(dimethylamino)propanal;fluoromethane.

Molecular Properties

Compound Name3-(dimethylamino)propanal;fluoromethane
PubChem CID163236166
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name3-(dimethylamino)propanal;fluoromethane
SMILESCF.CN(C)CCC=O
InChIInChI=1S/C5H11NO.CH3F/c1-6(2)4-3-5-7;1-2/h5H,3-4H2,1-2H3;1H3
InChIKeyPZBMMCQZZRJURY-UHFFFAOYSA-N
XLogP0.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)propanal;fluoromethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-Dimethyl-3-(dimethylamino)propionaldehyde
CID 84921
3-(Diethylamino)propanal
CID 429319
3-(Dimethylamino)-2-methylpropanal
CID 20695664
3-(Dimethylamino)propanal hydrochloride
CID 141342787
3-(Dimethylamino)propanal
CID 546946
3-[Bis(trifluoromethyl)amino]propanal
CID 58019316
3-[Methyl(2,2,2-trifluoroethyl)amino]propanal
CID 63039019
3-(Dimethylamino)propanoyl fluoride
CID 139607788
3-Diethylaminopropan-1-one hydrochloride
CID 145713935
4-(Dimethylamino)-2-fluorobutanal
CID 55266893
3-[Ethyl(2,2,2-trifluoroethyl)amino]propanal
CID 63041477
3-[Propyl(2,2,2-trifluoroethyl)amino]propanal
CID 63041669

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propanal;fluoromethane?
The IUPAC name of 3-(dimethylamino)propanal;fluoromethane (CID 163236166) is 3-(dimethylamino)propanal;fluoromethane.
What is the SMILES notation for 3-(dimethylamino)propanal;fluoromethane?
The canonical SMILES for 3-(dimethylamino)propanal;fluoromethane is CF.CN(C)CCC=O.
What is the InChIKey of 3-(dimethylamino)propanal;fluoromethane?
The InChIKey is PZBMMCQZZRJURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH3F/c1-6(2)4-3-5-7;1-2/h5H,3-4H2,1-2H3;1H3.
What are the key properties of 3-(dimethylamino)propanal;fluoromethane?
3-(dimethylamino)propanal;fluoromethane has a molecular weight of 135.18 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propanal;fluoromethane is sourced from PubChem (CID 163236166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).