(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid

C10H9F9O2 — CID 87182274

IUPAC(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid
SMILESC/C(=C\CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H9F9O2/c1-5(6(20)21)3-2-4-7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,2,4H2,1H3,(H,20,21)/b5-3+
InChIKeyQAJXCEUCOKJJSE-HWKANZROSA-N
MW332.16 g/mol
LogP4.27
Rot. Bonds6

About (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid

(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid (PubChem CID 87182274) has the molecular formula C10H9F9O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid.

Molecular Properties

Compound Name(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid
PubChem CID87182274
Molecular FormulaC10H9F9O2
Molecular Weight332.16 g/mol
Exact Mass332.05
IUPAC Name(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid
SMILESC/C(=C\CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H9F9O2/c1-5(6(20)21)3-2-4-7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,2,4H2,1H3,(H,20,21)/b5-3+
InChIKeyQAJXCEUCOKJJSE-HWKANZROSA-N
XLogP4.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]-2-methylpent-2-enoic acid
CID 173264309
(E)-5,5,6,6,7,7,7-heptafluoro-2-methylhept-2-enoic acid;prop-2-enoic acid
CID 146636057
6,6,6-trimethoxy-2-methylhex-2-enoic acid
CID 56999960
5-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)-2,4-dimethylpent-2-enoic acid
CID 87699121
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecanal
CID 122214727
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
hexanedioic acid;2,6,6-trimethylhept-2-enoic acid
CID 88667557
4,4,5,5,6,6-hexafluoro-2-methylnon-2-enoic acid
CID 87262359
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
2-methyl-6-oxohept-2-enoic acid
CID 85419897
(E)-6,6,6-trifluoro-2-methyl-5-(trifluoromethyl)hex-2-enoic acid
CID 87645960
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl acetate
CID 121274321

Frequently Asked Questions

What is the IUPAC name of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid?
The IUPAC name of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid (CID 87182274) is (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid.
What is the SMILES notation for (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid?
The canonical SMILES for (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid is C/C(=C\CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid?
The InChIKey is QAJXCEUCOKJJSE-HWKANZROSA-N. The full InChI is InChI=1S/C10H9F9O2/c1-5(6(20)21)3-2-4-7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,2,4H2,1H3,(H,20,21)/b5-3+.
What are the key properties of (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid?
(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid has a molecular weight of 332.16 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,7,7,8,8,9,9,9-nonafluoro-2-methylnon-2-enoic acid is sourced from PubChem (CID 87182274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).