(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine

C5H8F3N — CID 130243443

IUPAC(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine
SMILESC/C=C(\NC)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-3-4(9-2)5(6,7)8/h3,9H,1-2H3/b4-3-
InChIKeyLIDSNZJXRKMYIX-ARJAWSKDSA-N
MW139.12 g/mol
LogP1.67
Rot. Bonds1

About (Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine

(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine (PubChem CID 130243443) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine
PubChem CID130243443
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine
SMILESC/C=C(\NC)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-3-4(9-2)5(6,7)8/h3,9H,1-2H3/b4-3-
InChIKeyLIDSNZJXRKMYIX-ARJAWSKDSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine?
The IUPAC name of (Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine (CID 130243443) is (Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine is C/C=C(\NC)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine?
The InChIKey is LIDSNZJXRKMYIX-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8F3N/c1-3-4(9-2)5(6,7)8/h3,9H,1-2H3/b4-3-.
What are the key properties of (Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine?
(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine has a molecular weight of 139.12 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine is sourced from PubChem (CID 130243443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).