N-(2-fluoroethyl)-N-methylprop-2-en-1-amine

C6H12FN — CID 131108623

IUPACN-(2-fluoroethyl)-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CCF
InChIInChI=1S/C6H12FN/c1-3-5-8(2)6-4-7/h3H,1,4-6H2,2H3
InChIKeyCSHCHYGYKGCNQG-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.07
Rot. Bonds4

About N-(2-fluoroethyl)-N-methylprop-2-en-1-amine

N-(2-fluoroethyl)-N-methylprop-2-en-1-amine (PubChem CID 131108623) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methylprop-2-en-1-amine
PubChem CID131108623
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC NameN-(2-fluoroethyl)-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CCF
InChIInChI=1S/C6H12FN/c1-3-5-8(2)6-4-7/h3H,1,4-6H2,2H3
InChIKeyCSHCHYGYKGCNQG-UHFFFAOYSA-N
XLogP1.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Triallylamine
CID 7617
Allyltrimethylammonium chloride
CID 15198
N,N-Dimethylallylamine
CID 75082
Diallylmethylamine
CID 75501
2-Propen-1-amine, N,N-diethyl-
CID 79748
2-Propen-1-aminium, N,N,N-trimethyl-, bromide (1:1)
CID 76358
2,5-Dihydro-1-methylpyrrole
CID 136355
Allyl-trimethyl-ammonium
CID 10425
N,N,N-Trimethylprop-2-en-1-aminium iodide
CID 26005
Dimethyldiallylammonium
CID 33287
N-Ethyl-N-methyl-2-propen-1-amine
CID 558363
1-(3-fluoropropyl)-2,5-dihydro-1H-pyrrole
CID 145874744

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of N-(2-fluoroethyl)-N-methylprop-2-en-1-amine (CID 131108623) is N-(2-fluoroethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-methylprop-2-en-1-amine is C=CCN(C)CCF.
What is the InChIKey of N-(2-fluoroethyl)-N-methylprop-2-en-1-amine?
The InChIKey is CSHCHYGYKGCNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-3-5-8(2)6-4-7/h3H,1,4-6H2,2H3.
What are the key properties of N-(2-fluoroethyl)-N-methylprop-2-en-1-amine?
N-(2-fluoroethyl)-N-methylprop-2-en-1-amine has a molecular weight of 117.17 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 131108623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).