1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene

C22H2F14 — CID 12635103

IUPAC1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene
SMILESFc1cc(F)c(-c2c(F)c(F)c(F)c3c(-c4c(F)cc(F)c(F)c4F)c(F)c(F)c(F)c23)c(F)c1F
InChIInChI=1S/C22H2F14/c23-3-1-5(25)13(27)15(29)7(3)9-11-12(20(34)21(35)17(9)31)10(18(32)22(36)19(11)33)8-4(24)2-6(26)14(28)16(8)30/h1-2H
InChIKeyHPZUZJNZBLJOCH-UHFFFAOYSA-N
MW532.23 g/mol
LogP8.12
Rot. Bonds2

About 1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene

1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene (PubChem CID 12635103) has the molecular formula C22H2F14 and a molecular weight of 532.23 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene.

Molecular Properties

Compound Name1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene
PubChem CID12635103
Molecular FormulaC22H2F14
Molecular Weight532.23 g/mol
Exact Mass531.99
IUPAC Name1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene
SMILESFc1cc(F)c(-c2c(F)c(F)c(F)c3c(-c4c(F)cc(F)c(F)c4F)c(F)c(F)c(F)c23)c(F)c1F
InChIInChI=1S/C22H2F14/c23-3-1-5(25)13(27)15(29)7(3)9-11-12(20(34)21(35)17(9)31)10(18(32)22(36)19(11)33)8-4(24)2-6(26)14(28)16(8)30/h1-2H
InChIKeyHPZUZJNZBLJOCH-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.23
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 46317135
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boric acid;1,2,3,4,5-pentafluorobenzene;silver
CID 159886582
1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 87428777

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene?
The IUPAC name of 1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene (CID 12635103) is 1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene.
What is the SMILES notation for 1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene?
The canonical SMILES for 1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene is Fc1cc(F)c(-c2c(F)c(F)c(F)c3c(-c4c(F)cc(F)c(F)c4F)c(F)c(F)c(F)c23)c(F)c1F.
What is the InChIKey of 1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene?
The InChIKey is HPZUZJNZBLJOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H2F14/c23-3-1-5(25)13(27)15(29)7(3)9-11-12(20(34)21(35)17(9)31)10(18(32)22(36)19(11)33)8-4(24)2-6(26)14(28)16(8)30/h1-2H.
What are the key properties of 1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene?
1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene has a molecular weight of 532.23 g/mol, XLogP of 8.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene is sourced from PubChem (CID 12635103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).