4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile

C16H13F3N2 — CID 162534778

IUPAC4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile
SMILESN#CC(CCc1ccccc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H13F3N2/c17-16(18,19)15-9-8-14(11-21-15)13(10-20)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7H2
InChIKeyURUHXNCCZPQSCN-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.34
Rot. Bonds4

About 4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile

4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile (PubChem CID 162534778) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile.

Molecular Properties

Compound Name4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile
PubChem CID162534778
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile
SMILESN#CC(CCc1ccccc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H13F3N2/c17-16(18,19)15-9-8-14(11-21-15)13(10-20)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7H2
InChIKeyURUHXNCCZPQSCN-UHFFFAOYSA-N
XLogP4.34
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile?
The IUPAC name of 4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile (CID 162534778) is 4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile.
What is the SMILES notation for 4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile?
The canonical SMILES for 4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile is N#CC(CCc1ccccc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile?
The InChIKey is URUHXNCCZPQSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c17-16(18,19)15-9-8-14(11-21-15)13(10-20)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7H2.
What are the key properties of 4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile?
4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile has a molecular weight of 290.29 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile is sourced from PubChem (CID 162534778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).