1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile

C18H10F8N2O2 — CID 170305306

IUPAC1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile
SMILESN#Cc1c(C#N)c(OCC(F)(F)C(F)F)c2ccccc2c1OCC(F)(F)C(F)F
InChIInChI=1S/C18H10F8N2O2/c19-15(20)17(23,24)7-29-13-9-3-1-2-4-10(9)14(12(6-28)11(13)5-27)30-8-18(25,26)16(21)22/h1-4,15-16H,7-8H2
InChIKeyVFAMFFHCPMVNTO-UHFFFAOYSA-N
MW438.27 g/mol
LogP5.14
Rot. Bonds8

About 1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile

1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile (PubChem CID 170305306) has the molecular formula C18H10F8N2O2 and a molecular weight of 438.27 g/mol. Its IUPAC name is 1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile
PubChem CID170305306
Molecular FormulaC18H10F8N2O2
Molecular Weight438.27 g/mol
Exact Mass438.06
IUPAC Name1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile
SMILESN#Cc1c(C#N)c(OCC(F)(F)C(F)F)c2ccccc2c1OCC(F)(F)C(F)F
InChIInChI=1S/C18H10F8N2O2/c19-15(20)17(23,24)7-29-13-9-3-1-2-4-10(9)14(12(6-28)11(13)5-27)30-8-18(25,26)16(21)22/h1-4,15-16H,7-8H2
InChIKeyVFAMFFHCPMVNTO-UHFFFAOYSA-N
XLogP5.14
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.27
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile?
The IUPAC name of 1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile (CID 170305306) is 1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile?
The canonical SMILES for 1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile is N#Cc1c(C#N)c(OCC(F)(F)C(F)F)c2ccccc2c1OCC(F)(F)C(F)F.
What is the InChIKey of 1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile?
The InChIKey is VFAMFFHCPMVNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F8N2O2/c19-15(20)17(23,24)7-29-13-9-3-1-2-4-10(9)14(12(6-28)11(13)5-27)30-8-18(25,26)16(21)22/h1-4,15-16H,7-8H2.
What are the key properties of 1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile?
1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile has a molecular weight of 438.27 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 170305306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).