2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile

C10H3F8N — CID 167035323

IUPAC2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile
SMILESN#CCc1cc(F)c(C(F)(F)F)c(F)c1C(F)(F)F
InChIInChI=1S/C10H3F8N/c11-5-3-4(1-2-19)6(9(13,14)15)8(12)7(5)10(16,17)18/h3H,1H2
InChIKeyFUIZDXFCSMLZHU-UHFFFAOYSA-N
MW289.13 g/mol
LogP4.07
Rot. Bonds1

About 2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile

2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile (PubChem CID 167035323) has the molecular formula C10H3F8N and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile
PubChem CID167035323
Molecular FormulaC10H3F8N
Molecular Weight289.13 g/mol
Exact Mass289.01
IUPAC Name2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile
SMILESN#CCc1cc(F)c(C(F)(F)F)c(F)c1C(F)(F)F
InChIInChI=1S/C10H3F8N/c11-5-3-4(1-2-19)6(9(13,14)15)8(12)7(5)10(16,17)18/h3H,1H2
InChIKeyFUIZDXFCSMLZHU-UHFFFAOYSA-N
XLogP4.07
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetonitrile
CID 171020418
2-[2-fluoro-4,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 118851669
[2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol
CID 131300791
2-(5-bromo-2,3-difluorophenyl)acetonitrile
CID 84795160
2-(3-chloro-2,4,5-trifluorophenyl)acetonitrile
CID 115111003
CID 176571324
CID 176571324
2-(cyanomethyl)-5-fluoro-4-(trifluoromethyl)benzonitrile
CID 169121731
5-(cyanomethyl)-2,3-bis(trifluoromethyl)benzene-1,4-dicarbonitrile
CID 174342145
3-(cyanomethyl)-5-formyl-4-(trifluoromethyl)benzonitrile
CID 171031221
3-(cyanomethyl)-5-methoxy-4-(trifluoromethyl)benzonitrile
CID 171031354
2-(2,4-dichloro-5-fluorophenyl)acetonitrile
CID 2774021
2-[4,5-bis(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133095159

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile (CID 167035323) is 2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile is N#CCc1cc(F)c(C(F)(F)F)c(F)c1C(F)(F)F.
What is the InChIKey of 2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is FUIZDXFCSMLZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F8N/c11-5-3-4(1-2-19)6(9(13,14)15)8(12)7(5)10(16,17)18/h3H,1H2.
What are the key properties of 2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile?
2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 289.13 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-2,4-bis(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 167035323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).