ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine

C14H20F3N — CID 153372825

IUPACethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine
SMILESCC.CC/C=C(\CC)c1cccnc1C(F)(F)F
InChIInChI=1S/C12H14F3N.C2H6/c1-3-6-9(4-2)10-7-5-8-16-11(10)12(13,14)15;1-2/h5-8H,3-4H2,1-2H3;1-2H3/b9-6+;
InChIKeyFDIWPEFBNZQHJR-MLBSPLJJSA-N
MW259.31 g/mol
LogP5.33
Rot. Bonds3

About ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine

ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine (PubChem CID 153372825) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine
PubChem CID153372825
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Nameethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine
SMILESCC.CC/C=C(\CC)c1cccnc1C(F)(F)F
InChIInChI=1S/C12H14F3N.C2H6/c1-3-6-9(4-2)10-7-5-8-16-11(10)12(13,14)15;1-2/h5-8H,3-4H2,1-2H3;1-2H3/b9-6+;
InChIKeyFDIWPEFBNZQHJR-MLBSPLJJSA-N
XLogP5.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.31
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine?
The IUPAC name of ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine (CID 153372825) is ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine is CC.CC/C=C(\CC)c1cccnc1C(F)(F)F.
What is the InChIKey of ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine?
The InChIKey is FDIWPEFBNZQHJR-MLBSPLJJSA-N. The full InChI is InChI=1S/C12H14F3N.C2H6/c1-3-6-9(4-2)10-7-5-8-16-11(10)12(13,14)15;1-2/h5-8H,3-4H2,1-2H3;1-2H3/b9-6+;.
What are the key properties of ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine?
ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine has a molecular weight of 259.31 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 153372825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).