2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile

C14H7ClF4N2 — CID 77014339

IUPAC2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CC(c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H7ClF4N2/c15-9-2-3-10(12(16)5-9)11(6-20)13-4-1-8(7-21-13)14(17,18)19/h1-5,7,11H
InChIKeyFMTFEXHFRCBBFK-UHFFFAOYSA-N
MW314.67 g/mol
LogP4.55
Rot. Bonds2

About 2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 77014339) has the molecular formula C14H7ClF4N2 and a molecular weight of 314.67 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID77014339
Molecular FormulaC14H7ClF4N2
Molecular Weight314.67 g/mol
Exact Mass314.02
IUPAC Name2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CC(c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H7ClF4N2/c15-9-2-3-10(12(16)5-9)11(6-20)13-4-1-8(7-21-13)14(17,18)19/h1-5,7,11H
InChIKeyFMTFEXHFRCBBFK-UHFFFAOYSA-N
XLogP4.55
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.67
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 77014339) is 2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CC(c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is FMTFEXHFRCBBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4N2/c15-9-2-3-10(12(16)5-9)11(6-20)13-4-1-8(7-21-13)14(17,18)19/h1-5,7,11H.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 314.67 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 77014339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).