acetic acid;1,3,5-trifluorobenzene

C8H7F3O2 — CID 162178148

IUPACacetic acid;1,3,5-trifluorobenzene
SMILESCC(=O)O.Fc1cc(F)cc(F)c1
InChIInChI=1S/C6H3F3.C2H4O2/c7-4-1-5(8)3-6(9)2-4;1-2(3)4/h1-3H;1H3,(H,3,4)
InChIKeyZOQXXKRQIORHPF-UHFFFAOYSA-N
MW192.14 g/mol
LogP2.19
Rot. Bonds

About acetic acid;1,3,5-trifluorobenzene

acetic acid;1,3,5-trifluorobenzene (PubChem CID 162178148) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is acetic acid;1,3,5-trifluorobenzene.

Molecular Properties

Compound Nameacetic acid;1,3,5-trifluorobenzene
PubChem CID162178148
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Nameacetic acid;1,3,5-trifluorobenzene
SMILESCC(=O)O.Fc1cc(F)cc(F)c1
InChIInChI=1S/C6H3F3.C2H4O2/c7-4-1-5(8)3-6(9)2-4;1-2(3)4/h1-3H;1H3,(H,3,4)
InChIKeyZOQXXKRQIORHPF-UHFFFAOYSA-N
XLogP2.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetic acid;2-fluoronaphthalene
CID 174506324
1-amino-1-(3,5-difluorophenyl)propan-2-one
CID 55271172
bis(3,5-difluorophenyl)methanone
CID 2760569
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
(2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid
CID 68847804
acetic acid;1,2-dichloro-4-fluorobenzene
CID 174538740
acetic acid;benzene-1,3,5-triol
CID 53443381
acetic acid;oxophosphane
CID 175588110
(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
CID 91290117
acetic acid
CID 158444727
methyl 3,5-difluorobenzoate
CID 2775360
N-(3,5-difluorophenyl)-3-oxobutanamide
CID 18072687

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,3,5-trifluorobenzene?
The IUPAC name of acetic acid;1,3,5-trifluorobenzene (CID 162178148) is acetic acid;1,3,5-trifluorobenzene.
What is the SMILES notation for acetic acid;1,3,5-trifluorobenzene?
The canonical SMILES for acetic acid;1,3,5-trifluorobenzene is CC(=O)O.Fc1cc(F)cc(F)c1.
What is the InChIKey of acetic acid;1,3,5-trifluorobenzene?
The InChIKey is ZOQXXKRQIORHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3.C2H4O2/c7-4-1-5(8)3-6(9)2-4;1-2(3)4/h1-3H;1H3,(H,3,4).
What are the key properties of acetic acid;1,3,5-trifluorobenzene?
acetic acid;1,3,5-trifluorobenzene has a molecular weight of 192.14 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,3,5-trifluorobenzene is sourced from PubChem (CID 162178148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).