acetic acid;fluoromethanol

C3H7FO3 — CID 71357238

IUPACacetic acid;fluoromethanol
SMILESCC(=O)O.OCF
InChIInChI=1S/C2H4O2.CH3FO/c1-2(3)4;2-1-3/h1H3,(H,3,4);3H,1H2
InChIKeyZJDLAYKTLGBRRJ-UHFFFAOYSA-N
MW110.08 g/mol
LogP-0.00
Rot. Bonds

About acetic acid;fluoromethanol

acetic acid;fluoromethanol (PubChem CID 71357238) has the molecular formula C3H7FO3 and a molecular weight of 110.08 g/mol. Its IUPAC name is acetic acid;fluoromethanol.

Molecular Properties

Compound Nameacetic acid;fluoromethanol
PubChem CID71357238
Molecular FormulaC3H7FO3
Molecular Weight110.08 g/mol
Exact Mass110.04
IUPAC Nameacetic acid;fluoromethanol
SMILESCC(=O)O.OCF
InChIInChI=1S/C2H4O2.CH3FO/c1-2(3)4;2-1-3/h1H3,(H,3,4);3H,1H2
InChIKeyZJDLAYKTLGBRRJ-UHFFFAOYSA-N
XLogP-0.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid
CID 158444727
potassium;acetic acid;hydroxymethylazanide
CID 88792453
acetic acid;butane-1,4-diol
CID 53446412
acetic acid;germane
CID 174334920
acetic acid;ruthenium
CID 175502908
acetic acid;vanadium
CID 173443465
acetic acid;ethane
CID 173226324
acetic acid;ethane
CID 173070051
acetic acid;cobalt
CID 54602348
acetic acid;tris(yttrium)
CID 59994727
acetic acid;cobalt
CID 59294242
acetic acid;nickel(2+)
CID 22169473

Frequently Asked Questions

What is the IUPAC name of acetic acid;fluoromethanol?
The IUPAC name of acetic acid;fluoromethanol (CID 71357238) is acetic acid;fluoromethanol.
What is the SMILES notation for acetic acid;fluoromethanol?
The canonical SMILES for acetic acid;fluoromethanol is CC(=O)O.OCF.
What is the InChIKey of acetic acid;fluoromethanol?
The InChIKey is ZJDLAYKTLGBRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH3FO/c1-2(3)4;2-1-3/h1H3,(H,3,4);3H,1H2.
What are the key properties of acetic acid;fluoromethanol?
acetic acid;fluoromethanol has a molecular weight of 110.08 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;fluoromethanol is sourced from PubChem (CID 71357238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).