2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile

C9H5F5N2 — CID 134672891

IUPAC2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C9H5F5N2/c10-8(11)5-3-6(1-2-15)16-7(4-5)9(12,13)14/h3-4,8H,1H2
InChIKeyXUWLQZMTUYJAFF-UHFFFAOYSA-N
MW236.14 g/mol
LogP3.10
Rot. Bonds2

About 2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 134672891) has the molecular formula C9H5F5N2 and a molecular weight of 236.14 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID134672891
Molecular FormulaC9H5F5N2
Molecular Weight236.14 g/mol
Exact Mass236.04
IUPAC Name2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C9H5F5N2/c10-8(11)5-3-6(1-2-15)16-7(4-5)9(12,13)14/h3-4,8H,1H2
InChIKeyXUWLQZMTUYJAFF-UHFFFAOYSA-N
XLogP3.10
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118815641
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134668564
2-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]acetonitrile;ethane
CID 162523541
2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118820470
2-[6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820361
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118817542
2-[5-(difluoromethyl)-6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029134
2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane
CID 162523537
2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 171029480
2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 118827552
2-[6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118826099
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 134672891) is 2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1cc(C(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is XUWLQZMTUYJAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2/c10-8(11)5-3-6(1-2-15)16-7(4-5)9(12,13)14/h3-4,8H,1H2.
What are the key properties of 2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 236.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134672891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).