azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid

C8H4Cl14FNO2 — CID 173370306

IUPACazane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid
SMILESN.O=C(O)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C8HCl14FO2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3
InChIKeyGFPWZOSXTCHBQW-UHFFFAOYSA-N
MW661.46 g/mol
LogP8.38
Rot. Bonds7

About azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid

azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid (PubChem CID 173370306) has the molecular formula C8H4Cl14FNO2 and a molecular weight of 661.46 g/mol. Its IUPAC name is azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid.

Molecular Properties

Compound Nameazane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid
PubChem CID173370306
Molecular FormulaC8H4Cl14FNO2
Molecular Weight661.46 g/mol
Exact Mass654.59
IUPAC Nameazane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid
SMILESN.O=C(O)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C8HCl14FO2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3
InChIKeyGFPWZOSXTCHBQW-UHFFFAOYSA-N
XLogP8.38
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.46
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid with MolForge

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Related Compounds

CID 87918969
CID 87918969
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CID 175976837
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
lithium;2-chloro-2,2-difluoroacetic acid;hydride
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magnesium;2-chloro-2,2-difluoroacetic acid;hydride
CID 173148717
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trichloromethylsilane;2,2,2-trifluoroacetic acid
CID 174914882
2,2,3-trichloro-3-methylbutanoic acid
CID 54283694
acetic acid;chloro(trifluoro)methane
CID 88651424
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002

Frequently Asked Questions

What is the IUPAC name of azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid?
The IUPAC name of azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid (CID 173370306) is azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid.
What is the SMILES notation for azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid?
The canonical SMILES for azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid is N.O=C(O)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(F)(Cl)Cl.
What is the InChIKey of azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid?
The InChIKey is GFPWZOSXTCHBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HCl14FO2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3.
What are the key properties of azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid?
azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid has a molecular weight of 661.46 g/mol, XLogP of 8.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecachloro-8-fluorooctanoic acid is sourced from PubChem (CID 173370306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).