2-phenoxy-3-(trifluoromethyl)benzonitrile

C14H8F3NO — CID 145473264

IUPAC2-phenoxy-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1Oc1ccccc1
InChIInChI=1S/C14H8F3NO/c15-14(16,17)12-8-4-5-10(9-18)13(12)19-11-6-2-1-3-7-11/h1-8H
InChIKeyRVKFQHGBSURFTI-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.37
Rot. Bonds2

About 2-phenoxy-3-(trifluoromethyl)benzonitrile

2-phenoxy-3-(trifluoromethyl)benzonitrile (PubChem CID 145473264) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-phenoxy-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-phenoxy-3-(trifluoromethyl)benzonitrile
PubChem CID145473264
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name2-phenoxy-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1Oc1ccccc1
InChIInChI=1S/C14H8F3NO/c15-14(16,17)12-8-4-5-10(9-18)13(12)19-11-6-2-1-3-7-11/h1-8H
InChIKeyRVKFQHGBSURFTI-UHFFFAOYSA-N
XLogP4.37
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-phenoxy-3-(trifluoromethyl)benzonitrile (CID 145473264) is 2-phenoxy-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-phenoxy-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-phenoxy-3-(trifluoromethyl)benzonitrile is N#Cc1cccc(C(F)(F)F)c1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-3-(trifluoromethyl)benzonitrile?
The InChIKey is RVKFQHGBSURFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-14(16,17)12-8-4-5-10(9-18)13(12)19-11-6-2-1-3-7-11/h1-8H.
What are the key properties of 2-phenoxy-3-(trifluoromethyl)benzonitrile?
2-phenoxy-3-(trifluoromethyl)benzonitrile has a molecular weight of 263.22 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 145473264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).