(E)-3,4,4,4-tetrafluorobut-2-en-2-amine

C4H5F4N — CID 162620546

IUPAC(E)-3,4,4,4-tetrafluorobut-2-en-2-amine
SMILESC/C(N)=C(\F)C(F)(F)F
InChIInChI=1S/C4H5F4N/c1-2(9)3(5)4(6,7)8/h9H2,1H3/b3-2+
InChIKeyURJOELNXMNLOMU-NSCUHMNNSA-N
MW143.08 g/mol
LogP1.71
Rot. Bonds

About (E)-3,4,4,4-tetrafluorobut-2-en-2-amine

(E)-3,4,4,4-tetrafluorobut-2-en-2-amine (PubChem CID 162620546) has the molecular formula C4H5F4N and a molecular weight of 143.08 g/mol. Its IUPAC name is (E)-3,4,4,4-tetrafluorobut-2-en-2-amine.

Molecular Properties

Compound Name(E)-3,4,4,4-tetrafluorobut-2-en-2-amine
PubChem CID162620546
Molecular FormulaC4H5F4N
Molecular Weight143.08 g/mol
Exact Mass143.04
IUPAC Name(E)-3,4,4,4-tetrafluorobut-2-en-2-amine
SMILESC/C(N)=C(\F)C(F)(F)F
InChIInChI=1S/C4H5F4N/c1-2(9)3(5)4(6,7)8/h9H2,1H3/b3-2+
InChIKeyURJOELNXMNLOMU-NSCUHMNNSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.08
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3,4,4,4-tetrafluorobut-2-en-2-amine?
The IUPAC name of (E)-3,4,4,4-tetrafluorobut-2-en-2-amine (CID 162620546) is (E)-3,4,4,4-tetrafluorobut-2-en-2-amine.
What is the SMILES notation for (E)-3,4,4,4-tetrafluorobut-2-en-2-amine?
The canonical SMILES for (E)-3,4,4,4-tetrafluorobut-2-en-2-amine is C/C(N)=C(\F)C(F)(F)F.
What is the InChIKey of (E)-3,4,4,4-tetrafluorobut-2-en-2-amine?
The InChIKey is URJOELNXMNLOMU-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H5F4N/c1-2(9)3(5)4(6,7)8/h9H2,1H3/b3-2+.
What are the key properties of (E)-3,4,4,4-tetrafluorobut-2-en-2-amine?
(E)-3,4,4,4-tetrafluorobut-2-en-2-amine has a molecular weight of 143.08 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4,4,4-tetrafluorobut-2-en-2-amine is sourced from PubChem (CID 162620546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).