1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene

C12H12F6 — CID 90872484

IUPAC1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene
SMILESFCCCCCC(F)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C12H12F6/c13-5-3-1-2-4-8(14)7-6-9(15)11(17)12(18)10(7)16/h6,8H,1-5H2
InChIKeyGAHTXCUOYWXOSW-UHFFFAOYSA-N
MW270.22 g/mol
LogP4.78
Rot. Bonds6

About 1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene

1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene (PubChem CID 90872484) has the molecular formula C12H12F6 and a molecular weight of 270.22 g/mol. Its IUPAC name is 1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene.

Molecular Properties

Compound Name1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene
PubChem CID90872484
Molecular FormulaC12H12F6
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC Name1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene
SMILESFCCCCCC(F)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C12H12F6/c13-5-3-1-2-4-8(14)7-6-9(15)11(17)12(18)10(7)16/h6,8H,1-5H2
InChIKeyGAHTXCUOYWXOSW-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-(1,6-difluorohexyl)phenyl]azanium
CID 22348881
1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium
CID 22348710
2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol
CID 18627999
(1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine
CID 66516916
1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene
CID 20977462
1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
CID 91063618
1,2,3,4-tetrafluoro-5-(1,1,1-tripropoxydecan-2-yl)benzene
CID 151165053
3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine
CID 107514810
ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane
CID 23123071
1,6-difluoroheptane
CID 139983024
CID 172801487
CID 172801487
[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]-hydroxy-di(propan-2-yl)silane
CID 90173423

Frequently Asked Questions

What is the IUPAC name of 1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene?
The IUPAC name of 1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene (CID 90872484) is 1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene.
What is the SMILES notation for 1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene?
The canonical SMILES for 1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene is FCCCCCC(F)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene?
The InChIKey is GAHTXCUOYWXOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6/c13-5-3-1-2-4-8(14)7-6-9(15)11(17)12(18)10(7)16/h6,8H,1-5H2.
What are the key properties of 1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene?
1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene has a molecular weight of 270.22 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene is sourced from PubChem (CID 90872484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).