fluoromethane;2-hydroxypropanoic acid

C4H9FO3 — CID 174688580

IUPACfluoromethane;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CF
InChIInChI=1S/C3H6O3.CH3F/c1-2(4)3(5)6;1-2/h2,4H,1H3,(H,5,6);1H3
InChIKeyCETMMHWTRQAOBD-UHFFFAOYSA-N
MW124.11 g/mol
LogP0.04
Rot. Bonds1

About fluoromethane;2-hydroxypropanoic acid

fluoromethane;2-hydroxypropanoic acid (PubChem CID 174688580) has the molecular formula C4H9FO3 and a molecular weight of 124.11 g/mol. Its IUPAC name is fluoromethane;2-hydroxypropanoic acid.

Molecular Properties

Compound Namefluoromethane;2-hydroxypropanoic acid
PubChem CID174688580
Molecular FormulaC4H9FO3
Molecular Weight124.11 g/mol
Exact Mass124.05
IUPAC Namefluoromethane;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CF
InChIInChI=1S/C3H6O3.CH3F/c1-2(4)3(5)6;1-2/h2,4H,1H3,(H,5,6);1H3
InChIKeyCETMMHWTRQAOBD-UHFFFAOYSA-N
XLogP0.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.11
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxypropanoic acid
CID 87075455
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;mercury
CID 88512020
CID 123133976
CID 123133976
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 11776805
CID 11776805
CID 129137181
CID 129137181
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474
chromium;2-hydroxypropanoic acid;trihydrate
CID 173468651

Frequently Asked Questions

What is the IUPAC name of fluoromethane;2-hydroxypropanoic acid?
The IUPAC name of fluoromethane;2-hydroxypropanoic acid (CID 174688580) is fluoromethane;2-hydroxypropanoic acid.
What is the SMILES notation for fluoromethane;2-hydroxypropanoic acid?
The canonical SMILES for fluoromethane;2-hydroxypropanoic acid is CC(O)C(=O)O.CF.
What is the InChIKey of fluoromethane;2-hydroxypropanoic acid?
The InChIKey is CETMMHWTRQAOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.CH3F/c1-2(4)3(5)6;1-2/h2,4H,1H3,(H,5,6);1H3.
What are the key properties of fluoromethane;2-hydroxypropanoic acid?
fluoromethane;2-hydroxypropanoic acid has a molecular weight of 124.11 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;2-hydroxypropanoic acid is sourced from PubChem (CID 174688580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).