1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene

C14F14 — CID 91743957

IUPAC1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
SMILESFc1c(F)c(F)c(C(F)(c2c(F)c(F)c(F)c(F)c2F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C14F14/c15-3-1(4(16)8(20)11(23)7(3)19)13(25,14(26,27)28)2-5(17)9(21)12(24)10(22)6(2)18
InChIKeyFBMIJAHXPDSQSW-UHFFFAOYSA-N
MW434.13 g/mol
LogP5.85
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene

1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene (PubChem CID 91743957) has the molecular formula C14F14 and a molecular weight of 434.13 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
PubChem CID91743957
Molecular FormulaC14F14
Molecular Weight434.13 g/mol
Exact Mass433.98
IUPAC Name1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
SMILESFc1c(F)c(F)c(C(F)(c2c(F)c(F)c(F)c(F)c2F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C14F14/c15-3-1(4(16)8(20)11(23)7(3)19)13(25,14(26,27)28)2-5(17)9(21)12(24)10(22)6(2)18
InChIKeyFBMIJAHXPDSQSW-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.13
LogP ≤ 55.85
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

2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol
CID 22003363
1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene
CID 13416590
1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]sulfanyl-difluoromethyl]-2,3,4,5,6-pentafluorobenzene
CID 129161534
ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene
CID 145102025
2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol
CID 139749075
1,2,3,4,5,6,8-heptafluoro-7-(trifluoromethyl)naphthalene
CID 4313794
2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol
CID 90973259
2,3,4-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 87246933
1,2,3,4-tetrafluoro-5-iodo-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
CID 162617566
1,2,3,4-tetrafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-6-[2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]sulfanylbenzene
CID 139824296
N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 171479860
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 177256045

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene (CID 91743957) is 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene is Fc1c(F)c(F)c(C(F)(c2c(F)c(F)c(F)c(F)c2F)C(F)(F)F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene?
The InChIKey is FBMIJAHXPDSQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F14/c15-3-1(4(16)8(20)11(23)7(3)19)13(25,14(26,27)28)2-5(17)9(21)12(24)10(22)6(2)18.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene?
1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene has a molecular weight of 434.13 g/mol, XLogP of 5.85, 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-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene is sourced from PubChem (CID 91743957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).