4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde

C22H10F4O2 — CID 138986975

IUPAC4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde
SMILESO=Cc1c(C=O)c(F)c2c(F)c(F)c(F)cc2c1-c1cccc2ccccc12
InChIInChI=1S/C22H10F4O2/c23-17-8-14-18(13-7-3-5-11-4-1-2-6-12(11)13)15(9-27)16(10-28)20(24)19(14)22(26)21(17)25/h1-10H
InChIKeyPFVWTMYZBNZYRC-UHFFFAOYSA-N
MW382.31 g/mol
LogP5.84
Rot. Bonds3

About 4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde

4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde (PubChem CID 138986975) has the molecular formula C22H10F4O2 and a molecular weight of 382.31 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde
PubChem CID138986975
Molecular FormulaC22H10F4O2
Molecular Weight382.31 g/mol
Exact Mass382.06
IUPAC Name4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde
SMILESO=Cc1c(C=O)c(F)c2c(F)c(F)c(F)cc2c1-c1cccc2ccccc12
InChIInChI=1S/C22H10F4O2/c23-17-8-14-18(13-7-3-5-11-4-1-2-6-12(11)13)15(9-27)16(10-28)20(24)19(14)22(26)21(17)25/h1-10H
InChIKeyPFVWTMYZBNZYRC-UHFFFAOYSA-N
XLogP5.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.31
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde?
The IUPAC name of 4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde (CID 138986975) is 4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde.
What is the SMILES notation for 4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde?
The canonical SMILES for 4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde is O=Cc1c(C=O)c(F)c2c(F)c(F)c(F)cc2c1-c1cccc2ccccc12.
What is the InChIKey of 4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde?
The InChIKey is PFVWTMYZBNZYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10F4O2/c23-17-8-14-18(13-7-3-5-11-4-1-2-6-12(11)13)15(9-27)16(10-28)20(24)19(14)22(26)21(17)25/h1-10H.
What are the key properties of 4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde?
4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde has a molecular weight of 382.31 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde is sourced from PubChem (CID 138986975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).