ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine

C7H14F3N — CID 156846125

IUPACethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine
SMILESC=C(NCC)C(F)(F)F.CC
InChIInChI=1S/C5H8F3N.C2H6/c1-3-9-4(2)5(6,7)8;1-2/h9H,2-3H2,1H3;1-2H3
InChIKeyQFKJBEBWGBBYMI-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.70
Rot. Bonds2

About ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine

ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine (PubChem CID 156846125) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine
PubChem CID156846125
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Nameethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine
SMILESC=C(NCC)C(F)(F)F.CC
InChIInChI=1S/C5H8F3N.C2H6/c1-3-9-4(2)5(6,7)8;1-2/h9H,2-3H2,1H3;1-2H3
InChIKeyQFKJBEBWGBBYMI-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine?
The IUPAC name of ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine (CID 156846125) is ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine.
What is the SMILES notation for ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine?
The canonical SMILES for ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine is C=C(NCC)C(F)(F)F.CC.
What is the InChIKey of ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine?
The InChIKey is QFKJBEBWGBBYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N.C2H6/c1-3-9-4(2)5(6,7)8;1-2/h9H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine?
ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine has a molecular weight of 169.19 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine is sourced from PubChem (CID 156846125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).