ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine

C7H14F3N — CID 172585818

IUPACethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
SMILESCC.CN/C=C(\C)C(F)(F)F
InChIInChI=1S/C5H8F3N.C2H6/c1-4(3-9-2)5(6,7)8;1-2/h3,9H,1-2H3;1-2H3/b4-3+;
InChIKeyJEYABXQBCWIQJJ-BJILWQEISA-N
MW169.19 g/mol
LogP2.70
Rot. Bonds1

About ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine

ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine (PubChem CID 172585818) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
PubChem CID172585818
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Nameethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
SMILESCC.CN/C=C(\C)C(F)(F)F
InChIInChI=1S/C5H8F3N.C2H6/c1-4(3-9-2)5(6,7)8;1-2/h3,9H,1-2H3;1-2H3/b4-3+;
InChIKeyJEYABXQBCWIQJJ-BJILWQEISA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine?
The IUPAC name of ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine (CID 172585818) is ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine.
What is the SMILES notation for ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine?
The canonical SMILES for ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine is CC.CN/C=C(\C)C(F)(F)F.
What is the InChIKey of ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine?
The InChIKey is JEYABXQBCWIQJJ-BJILWQEISA-N. The full InChI is InChI=1S/C5H8F3N.C2H6/c1-4(3-9-2)5(6,7)8;1-2/h3,9H,1-2H3;1-2H3/b4-3+;.
What are the key properties of ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine?
ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine has a molecular weight of 169.19 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine is sourced from PubChem (CID 172585818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).