(Z)-N-ethyl-3-fluorobut-2-en-2-amine

C6H12FN — CID 146517565

IUPAC(Z)-N-ethyl-3-fluorobut-2-en-2-amine
SMILESCCN/C(C)=C(/C)F
InChIInChI=1S/C6H12FN/c1-4-8-6(3)5(2)7/h8H,4H2,1-3H3/b6-5-
InChIKeyTYSNWSIIXADOCO-WAYWQWQTSA-N
MW117.17 g/mol
LogP1.82
Rot. Bonds2

About (Z)-N-ethyl-3-fluorobut-2-en-2-amine

(Z)-N-ethyl-3-fluorobut-2-en-2-amine (PubChem CID 146517565) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is (Z)-N-ethyl-3-fluorobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-3-fluorobut-2-en-2-amine
PubChem CID146517565
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name(Z)-N-ethyl-3-fluorobut-2-en-2-amine
SMILESCCN/C(C)=C(/C)F
InChIInChI=1S/C6H12FN/c1-4-8-6(3)5(2)7/h8H,4H2,1-3H3/b6-5-
InChIKeyTYSNWSIIXADOCO-WAYWQWQTSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-3-fluorobut-2-en-2-amine?
The IUPAC name of (Z)-N-ethyl-3-fluorobut-2-en-2-amine (CID 146517565) is (Z)-N-ethyl-3-fluorobut-2-en-2-amine.
What is the SMILES notation for (Z)-N-ethyl-3-fluorobut-2-en-2-amine?
The canonical SMILES for (Z)-N-ethyl-3-fluorobut-2-en-2-amine is CCN/C(C)=C(/C)F.
What is the InChIKey of (Z)-N-ethyl-3-fluorobut-2-en-2-amine?
The InChIKey is TYSNWSIIXADOCO-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12FN/c1-4-8-6(3)5(2)7/h8H,4H2,1-3H3/b6-5-.
What are the key properties of (Z)-N-ethyl-3-fluorobut-2-en-2-amine?
(Z)-N-ethyl-3-fluorobut-2-en-2-amine has a molecular weight of 117.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-3-fluorobut-2-en-2-amine is sourced from PubChem (CID 146517565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).