ethylcyclopropane;2-(trifluoromethyl)benzonitrile

C13H14F3N — CID 157032231

IUPACethylcyclopropane;2-(trifluoromethyl)benzonitrile
SMILESCCC1CC1.N#Cc1ccccc1C(F)(F)F
InChIInChI=1S/C8H4F3N.C5H10/c9-8(10,11)7-4-2-1-3-6(7)5-12;1-2-5-3-4-5/h1-4H;5H,2-4H2,1H3
InChIKeyQEINYFMPLTWECE-UHFFFAOYSA-N
MW241.26 g/mol
LogP4.38
Rot. Bonds1

About ethylcyclopropane;2-(trifluoromethyl)benzonitrile

ethylcyclopropane;2-(trifluoromethyl)benzonitrile (PubChem CID 157032231) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is ethylcyclopropane;2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Nameethylcyclopropane;2-(trifluoromethyl)benzonitrile
PubChem CID157032231
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Nameethylcyclopropane;2-(trifluoromethyl)benzonitrile
SMILESCCC1CC1.N#Cc1ccccc1C(F)(F)F
InChIInChI=1S/C8H4F3N.C5H10/c9-8(10,11)7-4-2-1-3-6(7)5-12;1-2-5-3-4-5/h1-4H;5H,2-4H2,1H3
InChIKeyQEINYFMPLTWECE-UHFFFAOYSA-N
XLogP4.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethylcyclopropane;2-(trifluoromethyl)benzonitrile?
The IUPAC name of ethylcyclopropane;2-(trifluoromethyl)benzonitrile (CID 157032231) is ethylcyclopropane;2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for ethylcyclopropane;2-(trifluoromethyl)benzonitrile?
The canonical SMILES for ethylcyclopropane;2-(trifluoromethyl)benzonitrile is CCC1CC1.N#Cc1ccccc1C(F)(F)F.
What is the InChIKey of ethylcyclopropane;2-(trifluoromethyl)benzonitrile?
The InChIKey is QEINYFMPLTWECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N.C5H10/c9-8(10,11)7-4-2-1-3-6(7)5-12;1-2-5-3-4-5/h1-4H;5H,2-4H2,1H3.
What are the key properties of ethylcyclopropane;2-(trifluoromethyl)benzonitrile?
ethylcyclopropane;2-(trifluoromethyl)benzonitrile has a molecular weight of 241.26 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclopropane;2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 157032231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).