2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid

C10H11F5O4 — CID 87635300

IUPAC2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid
SMILESC=C(C(=O)O)C(CCCC(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H11F5O4/c1-5(7(16)17)6(8(18)19)3-2-4-9(11,12)10(13,14)15/h6H,1-4H2,(H,16,17)(H,18,19)
InChIKeyMSMVMTXUORAYCV-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.70
Rot. Bonds7

About 2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid

2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid (PubChem CID 87635300) has the molecular formula C10H11F5O4 and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid.

Molecular Properties

Compound Name2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid
PubChem CID87635300
Molecular FormulaC10H11F5O4
Molecular Weight290.18 g/mol
Exact Mass290.06
IUPAC Name2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid
SMILESC=C(C(=O)O)C(CCCC(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H11F5O4/c1-5(7(16)17)6(8(18)19)3-2-4-9(11,12)10(13,14)15/h6H,1-4H2,(H,16,17)(H,18,19)
InChIKeyMSMVMTXUORAYCV-UHFFFAOYSA-N
XLogP2.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid?
The IUPAC name of 2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid (CID 87635300) is 2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid.
What is the SMILES notation for 2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid?
The canonical SMILES for 2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid is C=C(C(=O)O)C(CCCC(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid?
The InChIKey is MSMVMTXUORAYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5O4/c1-5(7(16)17)6(8(18)19)3-2-4-9(11,12)10(13,14)15/h6H,1-4H2,(H,16,17)(H,18,19).
What are the key properties of 2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid?
2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid has a molecular weight of 290.18 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid is sourced from PubChem (CID 87635300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).