phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid

C5H8F3O5P — CID 157210793

IUPACphosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid
SMILESC=C(CC(F)(F)F)C(=O)O.OP(O)O
InChIInChI=1S/C5H5F3O2.H3O3P/c1-3(4(9)10)2-5(6,7)8;1-4(2)3/h1-2H2,(H,9,10);1-3H
InChIKeyARWHSQAJUACWMY-UHFFFAOYSA-N
MW236.08 g/mol
LogP0.77
Rot. Bonds2

About phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid

phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid (PubChem CID 157210793) has the molecular formula C5H8F3O5P and a molecular weight of 236.08 g/mol. Its IUPAC name is phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid.

Molecular Properties

Compound Namephosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid
PubChem CID157210793
Molecular FormulaC5H8F3O5P
Molecular Weight236.08 g/mol
Exact Mass236.01
IUPAC Namephosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid
SMILESC=C(CC(F)(F)F)C(=O)O.OP(O)O
InChIInChI=1S/C5H5F3O2.H3O3P/c1-3(4(9)10)2-5(6,7)8;1-4(2)3/h1-2H2,(H,9,10);1-3H
InChIKeyARWHSQAJUACWMY-UHFFFAOYSA-N
XLogP0.77
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.08
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5,5,5-trifluoro-4-hydroxy-2-methylidene-4-(trifluoromethyl)pentanoic acid
CID 58823536
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tricosafluoro-2-methylidenetetradecanoic acid
CID 18365732
4,4-diethyl-2-methylidenehexanoic acid
CID 87644977
2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid
CID 87921366
12,12,12-trifluoro-2-methylidenedodecanoic acid
CID 150365035
2-[(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxymethyl]prop-2-enoic acid
CID 58823596
4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)but-2-enoic acid
CID 91387261
2-methylidene-4,4,4-tris(prop-2-enylamino)butanoic acid
CID 87603428
2-[(2,2-difluoropropylamino)methyl]prop-2-enoic acid
CID 163461413
4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid
CID 89306235
5,5,5-trifluoropent-1-en-3-one
CID 12622108
5-hydroxy-2-methylidenehex-5-enoic acid
CID 87089770

Frequently Asked Questions

What is the IUPAC name of phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid?
The IUPAC name of phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid (CID 157210793) is phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid.
What is the SMILES notation for phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid?
The canonical SMILES for phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid is C=C(CC(F)(F)F)C(=O)O.OP(O)O.
What is the InChIKey of phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid?
The InChIKey is ARWHSQAJUACWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2.H3O3P/c1-3(4(9)10)2-5(6,7)8;1-4(2)3/h1-2H2,(H,9,10);1-3H.
What are the key properties of phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid?
phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid has a molecular weight of 236.08 g/mol, XLogP of 0.77, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid is sourced from PubChem (CID 157210793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).