2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride

C11H9ClF3NO — CID 169186429

IUPAC2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(C(F)(F)F)cc1OC1CC1
InChIInChI=1S/C11H8F3NO.ClH/c12-11(13,14)8-2-1-7(6-15)10(5-8)16-9-3-4-9;/h1-2,5,9H,3-4H2;1H
InChIKeyZYHOWKLXLFSIAE-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.54
Rot. Bonds2

About 2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride

2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride (PubChem CID 169186429) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is 2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride
PubChem CID169186429
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(C(F)(F)F)cc1OC1CC1
InChIInChI=1S/C11H8F3NO.ClH/c12-11(13,14)8-2-1-7(6-15)10(5-8)16-9-3-4-9;/h1-2,5,9H,3-4H2;1H
InChIKeyZYHOWKLXLFSIAE-UHFFFAOYSA-N
XLogP3.54
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride?
The IUPAC name of 2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride (CID 169186429) is 2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride.
What is the SMILES notation for 2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride?
The canonical SMILES for 2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride is Cl.N#Cc1ccc(C(F)(F)F)cc1OC1CC1.
What is the InChIKey of 2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride?
The InChIKey is ZYHOWKLXLFSIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO.ClH/c12-11(13,14)8-2-1-7(6-15)10(5-8)16-9-3-4-9;/h1-2,5,9H,3-4H2;1H.
What are the key properties of 2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride?
2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride has a molecular weight of 263.65 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride is sourced from PubChem (CID 169186429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).