2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid

C8H8F4O4 — CID 23311503

IUPAC2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid
SMILESC=C(C(=O)O)C(CC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C8H8F4O4/c1-3(5(13)14)4(6(15)16)2-8(11,12)7(9)10/h4,7H,1-2H2,(H,13,14)(H,15,16)
InChIKeyBRMKUEGHLMEDHO-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.62
Rot. Bonds6

About 2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid

2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid (PubChem CID 23311503) has the molecular formula C8H8F4O4 and a molecular weight of 244.14 g/mol. Its IUPAC name is 2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid.

Molecular Properties

Compound Name2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid
PubChem CID23311503
Molecular FormulaC8H8F4O4
Molecular Weight244.14 g/mol
Exact Mass244.04
IUPAC Name2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid
SMILESC=C(C(=O)O)C(CC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C8H8F4O4/c1-3(5(13)14)4(6(15)16)2-8(11,12)7(9)10/h4,7H,1-2H2,(H,13,14)(H,15,16)
InChIKeyBRMKUEGHLMEDHO-UHFFFAOYSA-N
XLogP1.62
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid
CID 87635300
2-(1,1,1,2,3,3-hexafluoropropan-2-yl)-3-methylidenebutanedioic acid
CID 23311505
3,3,4,4-tetrafluorobutanoic acid
CID 29005286
2,4,4,4-tetrafluorobutanoic acid
CID 24794893
3,5,5,6,6,7,7,8,8,9,9,10,10,10-tetradecafluoro-2-methylidenedecanoic acid
CID 87659242
2-fluoro-4-methylidenepentanedioic acid
CID 87321628
1-bromo-3,3,4,4-tetrafluorobutan-1-ol
CID 151013358
4,4,5,5-tetrafluoropentan-2-ol
CID 131061196
(2S)-2-(5-hydroxyhexyl)-3-methylidenebutanedioic acid
CID 177400028
2-(2-ethoxy-2-oxoethyl)-3-methylidenebutanedioic acid
CID 101281405
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluoro-2-methylidenedecanoic acid
CID 87141883
(2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid
CID 57007791

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid?
The IUPAC name of 2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid (CID 23311503) is 2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid.
What is the SMILES notation for 2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid?
The canonical SMILES for 2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid is C=C(C(=O)O)C(CC(F)(F)C(F)F)C(=O)O.
What is the InChIKey of 2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid?
The InChIKey is BRMKUEGHLMEDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4O4/c1-3(5(13)14)4(6(15)16)2-8(11,12)7(9)10/h4,7H,1-2H2,(H,13,14)(H,15,16).
What are the key properties of 2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid?
2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid has a molecular weight of 244.14 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-(2,2,3,3-tetrafluoropropyl)butanedioic acid is sourced from PubChem (CID 23311503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).