2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile

C15H9F4N — CID 154468811

IUPAC2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccc(C(F)(F)F)cc1-c1cccc(C#N)c1F
InChIInChI=1S/C15H9F4N/c1-9-5-6-11(15(17,18)19)7-13(9)12-4-2-3-10(8-20)14(12)16/h2-7H,1H3
InChIKeyDBHWAUNIURTIDE-UHFFFAOYSA-N
MW279.24 g/mol
LogP4.69
Rot. Bonds1

About 2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile

2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 154468811) has the molecular formula C15H9F4N and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile
PubChem CID154468811
Molecular FormulaC15H9F4N
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccc(C(F)(F)F)cc1-c1cccc(C#N)c1F
InChIInChI=1S/C15H9F4N/c1-9-5-6-11(15(17,18)19)7-13(9)12-4-2-3-10(8-20)14(12)16/h2-7H,1H3
InChIKeyDBHWAUNIURTIDE-UHFFFAOYSA-N
XLogP4.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-3-methylphenyl)-4-(trifluoromethyl)phenol
CID 172879488
2-(2-chloro-5-methylphenyl)-4-methyl-5-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 162581553
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene
CID 130243350
2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 139525947
2-methyl-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 134627253
4-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carbonitrile
CID 175289378
2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43331086
1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 118826542
2-(4-tert-butylphenyl)-4-(trifluoromethyl)benzonitrile
CID 58873357
2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile
CID 46313217
3-methyl-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 107107494

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile (CID 154468811) is 2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile is Cc1ccc(C(F)(F)F)cc1-c1cccc(C#N)c1F.
What is the InChIKey of 2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is DBHWAUNIURTIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N/c1-9-5-6-11(15(17,18)19)7-13(9)12-4-2-3-10(8-20)14(12)16/h2-7H,1H3.
What are the key properties of 2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile?
2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 279.24 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 154468811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).