1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene

C14HF17 — CID 10482785

IUPAC1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene
SMILESFc1c(F)c(F)c(/C(=C(\C(=CC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C14HF17/c15-6-3(7(16)9(18)10(19)8(6)17)5(14(29,30)31)4(13(26,27)28)2(12(23,24)25)1-11(20,21)22/h1H/b2-1?,5-4-
InChIKeyUGBXIAYUZOAYFP-VTWQNXAQSA-N
MW492.13 g/mol
LogP7.31
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene

1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene (PubChem CID 10482785) has the molecular formula C14HF17 and a molecular weight of 492.13 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene
PubChem CID10482785
Molecular FormulaC14HF17
Molecular Weight492.13 g/mol
Exact Mass491.98
IUPAC Name1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene
SMILESFc1c(F)c(F)c(/C(=C(\C(=CC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C14HF17/c15-6-3(7(16)9(18)10(19)8(6)17)5(14(29,30)31)4(13(26,27)28)2(12(23,24)25)1-11(20,21)22/h1H/b2-1?,5-4-
InChIKeyUGBXIAYUZOAYFP-VTWQNXAQSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.13
LogP ≤ 57.31
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
CID 15274880
2,3,5,6-tetrafluoro-4-[(2E,4E)-1,1,1,5,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]pyridine
CID 102119081
1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 23236517
1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene
CID 71356319
3,3,3-trifluoro-1,1-bis(methylsulfanyl)prop-1-ene
CID 123444118
(Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene
CID 121234505
(E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene
CID 11962025
2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene;1,1,1,2,4,4,4-heptafluorobut-2-ene
CID 88615008
2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
CID 18764629
1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene
CID 14091783
1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene
CID 160547390
1-chloro-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene;1,1-dichloro-3,3,3-trifluoroprop-1-ene
CID 159561664

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene (CID 10482785) is 1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene is Fc1c(F)c(F)c(/C(=C(\C(=CC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene?
The InChIKey is UGBXIAYUZOAYFP-VTWQNXAQSA-N. The full InChI is InChI=1S/C14HF17/c15-6-3(7(16)9(18)10(19)8(6)17)5(14(29,30)31)4(13(26,27)28)2(12(23,24)25)1-11(20,21)22/h1H/b2-1?,5-4-.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene?
1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene has a molecular weight of 492.13 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[(2Z)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]benzene is sourced from PubChem (CID 10482785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).