1-fluoro-N,N,2-trimethylprop-2-en-1-amine

C6H12FN — CID 57352257

IUPAC1-fluoro-N,N,2-trimethylprop-2-en-1-amine
SMILESC=C(C)C(F)N(C)C
InChIInChI=1S/C6H12FN/c1-5(2)6(7)8(3)4/h6H,1H2,2-4H3
InChIKeySGDLPEPTGXZKGF-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.42
Rot. Bonds2

About 1-fluoro-N,N,2-trimethylprop-2-en-1-amine

1-fluoro-N,N,2-trimethylprop-2-en-1-amine (PubChem CID 57352257) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 1-fluoro-N,N,2-trimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-fluoro-N,N,2-trimethylprop-2-en-1-amine
PubChem CID57352257
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name1-fluoro-N,N,2-trimethylprop-2-en-1-amine
SMILESC=C(C)C(F)N(C)C
InChIInChI=1S/C6H12FN/c1-5(2)6(7)8(3)4/h6H,1H2,2-4H3
InChIKeySGDLPEPTGXZKGF-UHFFFAOYSA-N
XLogP1.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N,N,2-trimethylprop-2-en-1-amine?
The IUPAC name of 1-fluoro-N,N,2-trimethylprop-2-en-1-amine (CID 57352257) is 1-fluoro-N,N,2-trimethylprop-2-en-1-amine.
What is the SMILES notation for 1-fluoro-N,N,2-trimethylprop-2-en-1-amine?
The canonical SMILES for 1-fluoro-N,N,2-trimethylprop-2-en-1-amine is C=C(C)C(F)N(C)C.
What is the InChIKey of 1-fluoro-N,N,2-trimethylprop-2-en-1-amine?
The InChIKey is SGDLPEPTGXZKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-5(2)6(7)8(3)4/h6H,1H2,2-4H3.
What are the key properties of 1-fluoro-N,N,2-trimethylprop-2-en-1-amine?
1-fluoro-N,N,2-trimethylprop-2-en-1-amine has a molecular weight of 117.17 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N,N,2-trimethylprop-2-en-1-amine is sourced from PubChem (CID 57352257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).