(Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile

C6F6N2 — CID 5366002

IUPAC(Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile
SMILESN#C/C(F)=C(\C#N)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F6N2/c7-4(2-14)3(1-13)5(8,9)6(10,11)12/b4-3-
InChIKeyWCYOTBXXOXFXCS-ARJAWSKDSA-N
MW214.07 g/mol
LogP2.45
Rot. Bonds1

About (Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile

(Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile (PubChem CID 5366002) has the molecular formula C6F6N2 and a molecular weight of 214.07 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile
PubChem CID5366002
Molecular FormulaC6F6N2
Molecular Weight214.07 g/mol
Exact Mass214.00
IUPAC Name(Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile
SMILESN#C/C(F)=C(\C#N)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F6N2/c7-4(2-14)3(1-13)5(8,9)6(10,11)12/b4-3-
InChIKeyWCYOTBXXOXFXCS-ARJAWSKDSA-N
XLogP2.45
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-2-(trifluoromethyl)but-2-enenitrile
CID 175105276
1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine
CID 169085392
(Z)-3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropanoyl)pent-2-enenitrile
CID 117064003
(E)-3-tert-butylsulfanyl-2,3-difluoroprop-2-enenitrile
CID 5364944
(E)-2-bromo-4,4,4-trifluorobut-2-enenitrile
CID 11127274
bis(2,2,3,3,3-pentafluoropropanenitrile);2,2,3,3,3-pentafluoropropanoyl iodide
CID 87580753
6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne
CID 15122969
2-(dimethylaminomethylidene)-4,4,5,5,5-pentafluoro-3-oxopentanenitrile
CID 59146508
(Z)-2-iodo-4-methyl-3-(1,1,2,2,2-pentafluoroethyl)hex-2-enenitrile
CID 102446345
(E)-2-iodo-4-methyl-3-(1,1,2,2,2-pentafluoroethyl)hex-2-enenitrile
CID 102446344
1,2,3,3,4,4,4-heptafluorobut-1-ene
CID 158100137
1-cyano-N'-fluoromethanimidamide
CID 23233998

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile?
The IUPAC name of (Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile (CID 5366002) is (Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile.
What is the SMILES notation for (Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile?
The canonical SMILES for (Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile is N#C/C(F)=C(\C#N)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile?
The InChIKey is WCYOTBXXOXFXCS-ARJAWSKDSA-N. The full InChI is InChI=1S/C6F6N2/c7-4(2-14)3(1-13)5(8,9)6(10,11)12/b4-3-.
What are the key properties of (Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile?
(Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile has a molecular weight of 214.07 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile is sourced from PubChem (CID 5366002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).