2-cyclopropyl-4-(trifluoromethyl)benzonitrile

C11H8F3N — CID 90241288

IUPAC2-cyclopropyl-4-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C11H8F3N/c12-11(13,14)9-4-3-8(6-15)10(5-9)7-1-2-7/h3-5,7H,1-2H2
InChIKeyMTMHNPQSXXAFOO-UHFFFAOYSA-N
MW211.19 g/mol
LogP3.45
Rot. Bonds1

About 2-cyclopropyl-4-(trifluoromethyl)benzonitrile

2-cyclopropyl-4-(trifluoromethyl)benzonitrile (PubChem CID 90241288) has the molecular formula C11H8F3N and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-cyclopropyl-4-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-cyclopropyl-4-(trifluoromethyl)benzonitrile
PubChem CID90241288
Molecular FormulaC11H8F3N
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-cyclopropyl-4-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C11H8F3N/c12-11(13,14)9-4-3-8(6-15)10(5-9)7-1-2-7/h3-5,7H,1-2H2
InChIKeyMTMHNPQSXXAFOO-UHFFFAOYSA-N
XLogP3.45
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)benzonitrile (CID 90241288) is 2-cyclopropyl-4-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-cyclopropyl-4-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-cyclopropyl-4-(trifluoromethyl)benzonitrile is N#Cc1ccc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-cyclopropyl-4-(trifluoromethyl)benzonitrile?
The InChIKey is MTMHNPQSXXAFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N/c12-11(13,14)9-4-3-8(6-15)10(5-9)7-1-2-7/h3-5,7H,1-2H2.
What are the key properties of 2-cyclopropyl-4-(trifluoromethyl)benzonitrile?
2-cyclopropyl-4-(trifluoromethyl)benzonitrile has a molecular weight of 211.19 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 90241288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).