2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene

C8H5Cl4FO2 — CID 174356728

IUPAC2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene
SMILESClc1ccc(Cl)c(Cl)c1Cl.O=C(O)CF
InChIInChI=1S/C6H2Cl4.C2H3FO2/c7-3-1-2-4(8)6(10)5(3)9;3-1-2(4)5/h1-2H;1H2,(H,4,5)
InChIKeyVMZVRSCDBROPIM-UHFFFAOYSA-N
MW293.94 g/mol
LogP4.34
Rot. Bonds1

About 2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene

2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene (PubChem CID 174356728) has the molecular formula C8H5Cl4FO2 and a molecular weight of 293.94 g/mol. Its IUPAC name is 2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene.

Molecular Properties

Compound Name2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene
PubChem CID174356728
Molecular FormulaC8H5Cl4FO2
Molecular Weight293.94 g/mol
Exact Mass291.90
IUPAC Name2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene
SMILESClc1ccc(Cl)c(Cl)c1Cl.O=C(O)CF
InChIInChI=1S/C6H2Cl4.C2H3FO2/c7-3-1-2-4(8)6(10)5(3)9;3-1-2(4)5/h1-2H;1H2,(H,4,5)
InChIKeyVMZVRSCDBROPIM-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.94
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-dichloro-6-fluoropyridine;2-fluoroacetic acid
CID 174737503
2-(2-bromo-3,4-dichlorophenyl)acetic acid
CID 54442363
benzene;ruthenium;1,2,3,4-tetrachlorobenzene
CID 173000636
2-fluoroacetic acid;hydrochloride
CID 87782456
sodium;hydride;2,3,4-trichlorobenzoic acid
CID 174433618
2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid
CID 118829634
2-fluoro-N-[(2,3,4-trichlorophenyl)carbamothioyl]acetamide
CID 88814163
1,3-dichlorobenzene;2-fluoroacetic acid;N-methylmethanamine
CID 174957029
1-phenyl-2-(2,3,4-trichlorophenyl)ethanone
CID 175144459
2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
CID 119020580
(2,3-dichloro-6-fluorophenyl)-phenylmethanone
CID 171366473
2-[3,5-bis(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134635869

Frequently Asked Questions

What is the IUPAC name of 2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene?
The IUPAC name of 2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene (CID 174356728) is 2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene.
What is the SMILES notation for 2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene?
The canonical SMILES for 2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene is Clc1ccc(Cl)c(Cl)c1Cl.O=C(O)CF.
What is the InChIKey of 2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene?
The InChIKey is VMZVRSCDBROPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4.C2H3FO2/c7-3-1-2-4(8)6(10)5(3)9;3-1-2(4)5/h1-2H;1H2,(H,4,5).
What are the key properties of 2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene?
2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene has a molecular weight of 293.94 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene is sourced from PubChem (CID 174356728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).