6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile

C12F3N5 — CID 15663966

IUPAC6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile
SMILESN#Cc1c(C#N)c(C#N)c(C(F)(F)F)c(C#N)c1C#N
InChIInChI=1S/C12F3N5/c13-12(14,15)11-9(4-19)7(2-17)6(1-16)8(3-18)10(11)5-20
InChIKeyQRAFNCDISODAPH-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.06
Rot. Bonds

About 6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile

6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile (PubChem CID 15663966) has the molecular formula C12F3N5 and a molecular weight of 271.16 g/mol. Its IUPAC name is 6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile.

Molecular Properties

Compound Name6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile
PubChem CID15663966
Molecular FormulaC12F3N5
Molecular Weight271.16 g/mol
Exact Mass271.01
IUPAC Name6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile
SMILESN#Cc1c(C#N)c(C#N)c(C(F)(F)F)c(C#N)c1C#N
InChIInChI=1S/C12F3N5/c13-12(14,15)11-9(4-19)7(2-17)6(1-16)8(3-18)10(11)5-20
InChIKeyQRAFNCDISODAPH-UHFFFAOYSA-N
XLogP2.06
TPSA118.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile?
The IUPAC name of 6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile (CID 15663966) is 6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile.
What is the SMILES notation for 6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile?
The canonical SMILES for 6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile is N#Cc1c(C#N)c(C#N)c(C(F)(F)F)c(C#N)c1C#N.
What is the InChIKey of 6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile?
The InChIKey is QRAFNCDISODAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F3N5/c13-12(14,15)11-9(4-19)7(2-17)6(1-16)8(3-18)10(11)5-20.
What are the key properties of 6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile?
6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile has a molecular weight of 271.16 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile is sourced from PubChem (CID 15663966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).