alumane;2-fluoropropanoic acid

C3H8AlFO2 — CID 173229818

IUPACalumane;2-fluoropropanoic acid
SMILESCC(F)C(=O)O.[AlH3]
InChIInChI=1S/C3H5FO2.Al.3H/c1-2(4)3(5)6;;;;/h2H,1H3,(H,5,6);;;;
InChIKeyASMGYOFTWMOPRD-UHFFFAOYSA-N
MW122.07 g/mol
LogP-0.75
Rot. Bonds1

About alumane;2-fluoropropanoic acid

alumane;2-fluoropropanoic acid (PubChem CID 173229818) has the molecular formula C3H8AlFO2 and a molecular weight of 122.07 g/mol. Its IUPAC name is alumane;2-fluoropropanoic acid.

Molecular Properties

Compound Namealumane;2-fluoropropanoic acid
PubChem CID173229818
Molecular FormulaC3H8AlFO2
Molecular Weight122.07 g/mol
Exact Mass122.03
IUPAC Namealumane;2-fluoropropanoic acid
SMILESCC(F)C(=O)O.[AlH3]
InChIInChI=1S/C3H5FO2.Al.3H/c1-2(4)3(5)6;;;;/h2H,1H3,(H,5,6);;;;
InChIKeyASMGYOFTWMOPRD-UHFFFAOYSA-N
XLogP-0.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.07
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

alumane;2-methylpropanoic acid
CID 173068323
(3R)-3-fluorobutan-2-one
CID 638120
(2S)-3-fluoro-2-methylbutanoic acid
CID 163728037
2,2-difluoroacetic acid;gallane
CID 173230413
2-methylpropanoic acid
CID 173073412
copper;2,2-difluoroacetic acid
CID 88507984
alumane;2-chloropropanoic acid
CID 173230355
(2S)-2-fluoropropanamide
CID 129374964
fluoromethane;2-hydroxypropanoic acid
CID 174688580
4,4-difluoro-2-methyl-3-oxobutanoic acid
CID 129278724
CID 161404788
CID 161404788
2-hydroxypropanoic acid
CID 87075455

Frequently Asked Questions

What is the IUPAC name of alumane;2-fluoropropanoic acid?
The IUPAC name of alumane;2-fluoropropanoic acid (CID 173229818) is alumane;2-fluoropropanoic acid.
What is the SMILES notation for alumane;2-fluoropropanoic acid?
The canonical SMILES for alumane;2-fluoropropanoic acid is CC(F)C(=O)O.[AlH3].
What is the InChIKey of alumane;2-fluoropropanoic acid?
The InChIKey is ASMGYOFTWMOPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO2.Al.3H/c1-2(4)3(5)6;;;;/h2H,1H3,(H,5,6);;;;.
What are the key properties of alumane;2-fluoropropanoic acid?
alumane;2-fluoropropanoic acid has a molecular weight of 122.07 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-fluoropropanoic acid is sourced from PubChem (CID 173229818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).