4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile

C10H6F6N2 — CID 134623563

IUPAC4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile
SMILESN#Cc1c(C(F)(F)F)cc(CN)cc1C(F)(F)F
InChIInChI=1S/C10H6F6N2/c11-9(12,13)7-1-5(3-17)2-8(6(7)4-18)10(14,15)16/h1-2H,3,17H2
InChIKeySWHXXEGLODFXFV-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.05
Rot. Bonds1

About 4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile

4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile (PubChem CID 134623563) has the molecular formula C10H6F6N2 and a molecular weight of 268.16 g/mol. Its IUPAC name is 4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile
PubChem CID134623563
Molecular FormulaC10H6F6N2
Molecular Weight268.16 g/mol
Exact Mass268.04
IUPAC Name4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile
SMILESN#Cc1c(C(F)(F)F)cc(CN)cc1C(F)(F)F
InChIInChI=1S/C10H6F6N2/c11-9(12,13)7-1-5(3-17)2-8(6(7)4-18)10(14,15)16/h1-2H,3,17H2
InChIKeySWHXXEGLODFXFV-UHFFFAOYSA-N
XLogP3.05
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine
CID 135742788
2-(aminomethyl)-6-(trifluoromethyl)benzonitrile
CID 86617537
4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline
CID 118829137
4-formyl-2,6-bis(trifluoromethyl)benzonitrile
CID 134638671
4-(aminomethyl)-2-(trifluoromethyl)aniline
CID 55255909
3-(aminomethyl)-4-iodo-5-(trifluoromethyl)benzonitrile
CID 171019295
[4-iodo-3-(trifluoromethyl)phenyl]methanamine
CID 53414331
2-amino-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162577106
2-(cyanomethyl)-4,6-bis(trifluoromethyl)benzonitrile
CID 166917913
4-(aminomethyl)-2,6-dipropylbenzonitrile
CID 177223056
2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 141497615
2-(bromomethyl)-4-methyl-6-(trifluoromethyl)benzonitrile
CID 171024870

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile (CID 134623563) is 4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile is N#Cc1c(C(F)(F)F)cc(CN)cc1C(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile?
The InChIKey is SWHXXEGLODFXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N2/c11-9(12,13)7-1-5(3-17)2-8(6(7)4-18)10(14,15)16/h1-2H,3,17H2.
What are the key properties of 4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile?
4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile has a molecular weight of 268.16 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,6-bis(trifluoromethyl)benzonitrile is sourced from PubChem (CID 134623563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).