CID 163928810

C16H8AlF10- — CID 163928810

IUPAC—
SMILESCCC(C)([Al-]F)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H8F9.Al.FH/c1-3-4(2)5-6(9(18)13(22)12(21)8(5)17)7-10(19)14(23)16(25)15(24)11(7)20;;/h3H2,1-2H3;;1H/p-1
InChIKeyVAELJPOKLDNRRY-UHFFFAOYSA-M
MW417.20 g/mol
LogP5.82
Rot. Bonds4

About CID 163928810

CID 163928810 (PubChem CID 163928810) has the molecular formula C16H8AlF10- and a molecular weight of 417.20 g/mol.

Molecular Properties

Compound NameCID 163928810
PubChem CID163928810
Molecular FormulaC16H8AlF10-
Molecular Weight417.20 g/mol
Exact Mass417.03
IUPAC Name—
SMILESCCC(C)([Al-]F)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H8F9.Al.FH/c1-3-4(2)5-6(9(18)13(22)12(21)8(5)17)7-10(19)14(23)16(25)15(24)11(7)20;;/h3H2,1-2H3;;1H/p-1
InChIKeyVAELJPOKLDNRRY-UHFFFAOYSA-M
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.20
LogP ≤ 55.82
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

1,2,4,5-tetrafluoro-3-(2-fluorobutan-2-yl)-6-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pentan-3-yloxy]hexoxy]phenyl]benzene
CID 130434999
1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetrafluorophenyl)-3,4,5-trifluoro-6-methylbenzene
CID 158547115
1-tert-butyl-2,3,5,6-tetrafluoro-4-(3-methylpentan-3-yl)benzene
CID 88879117
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol
CID 2783336
1-(3,3-difluoro-2,4,4-trimethylhexan-2-yl)-2,3,4,5,6-pentafluorobenzene
CID 89047086
CID 89201913
CID 89201913
1,2,4,5-tetrafluoro-3,6-bis(3-methylhexan-3-yl)benzene
CID 89419945
1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;N-(trifluoromethyl)ethanamine
CID 161420682
1,2,3,4,5-pentafluoro-6-(3-methylpentan-3-yloxy)benzene
CID 126481065
1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 22497144
2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene
CID 45090416
1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 15490453

Frequently Asked Questions

What is the IUPAC name of CID 163928810?
The IUPAC name of CID 163928810 (CID 163928810) is not available.
What is the SMILES notation for CID 163928810?
The canonical SMILES for CID 163928810 is CCC(C)([Al-]F)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of CID 163928810?
The InChIKey is VAELJPOKLDNRRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H8F9.Al.FH/c1-3-4(2)5-6(9(18)13(22)12(21)8(5)17)7-10(19)14(23)16(25)15(24)11(7)20;;/h3H2,1-2H3;;1H/p-1.
What are the key properties of CID 163928810?
CID 163928810 has a molecular weight of 417.20 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163928810 is sourced from PubChem (CID 163928810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).