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

C6H12FN — CID 123418230

IUPAC2-fluoro-N,N-dimethylbut-1-en-1-amine
SMILESCCC(F)=CN(C)C
InChIInChI=1S/C6H12FN/c1-4-6(7)5-8(2)3/h5H,4H2,1-3H3
InChIKeyPMEMFEZLKYRMMN-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.77
Rot. Bonds2

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

2-fluoro-N,N-dimethylbut-1-en-1-amine (PubChem CID 123418230) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name2-fluoro-N,N-dimethylbut-1-en-1-amine
PubChem CID123418230
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name2-fluoro-N,N-dimethylbut-1-en-1-amine
SMILESCCC(F)=CN(C)C
InChIInChI=1S/C6H12FN/c1-4-6(7)5-8(2)3/h5H,4H2,1-3H3
InChIKeyPMEMFEZLKYRMMN-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethylbut-1-en-1-amine?
The IUPAC name of 2-fluoro-N,N-dimethylbut-1-en-1-amine (CID 123418230) is 2-fluoro-N,N-dimethylbut-1-en-1-amine.
What is the SMILES notation for 2-fluoro-N,N-dimethylbut-1-en-1-amine?
The canonical SMILES for 2-fluoro-N,N-dimethylbut-1-en-1-amine is CCC(F)=CN(C)C.
What is the InChIKey of 2-fluoro-N,N-dimethylbut-1-en-1-amine?
The InChIKey is PMEMFEZLKYRMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-4-6(7)5-8(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-fluoro-N,N-dimethylbut-1-en-1-amine?
2-fluoro-N,N-dimethylbut-1-en-1-amine has a molecular weight of 117.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethylbut-1-en-1-amine is sourced from PubChem (CID 123418230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).