(2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid

C8H7F7O4 — CID 2305654

IUPAC(2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid
SMILESO=C(O)CC(CC(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C8H7F7O4/c9-6(10,7(11,12)8(13,14)15)2-3(5(18)19)1-4(16)17/h3H,1-2H2,(H,16,17)(H,18,19)
InChIKeyLSASNNWMPFETSE-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.38
Rot. Bonds6

About (2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid

(2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid (PubChem CID 2305654) has the molecular formula C8H7F7O4 and a molecular weight of 300.13 g/mol. Its IUPAC name is (2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid.

Molecular Properties

Compound Name(2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid
PubChem CID2305654
Molecular FormulaC8H7F7O4
Molecular Weight300.13 g/mol
Exact Mass300.02
IUPAC Name(2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid
SMILESO=C(O)CC(CC(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C8H7F7O4/c9-6(10,7(11,12)8(13,14)15)2-3(5(18)19)1-4(16)17/h3H,1-2H2,(H,16,17)(H,18,19)
InChIKeyLSASNNWMPFETSE-UHFFFAOYSA-N
XLogP2.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic 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

trisodium;hydride;propane-1,2,3-tricarboxylic acid
CID 173014092
trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate
CID 173458635
4-hydroxybutane-1,2,4-tricarboxylic acid
CID 54238219
4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid
CID 118209497
3,4,4,5,5,6,6,7,7,7-decafluoroheptanoic acid
CID 163324510
(2S)-2-ethylbutanedioic acid
CID 6997245
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-icosafluorododecanoic acid
CID 139595127
3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)-3-hydroxypropanoic acid
CID 165364806
3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
CID 10575809
2-(2-chloro-2-oxoethyl)butanedioic acid
CID 19364489
nonane-1,2,8,9-tetracarboxylic acid
CID 139878415
azanium 2-[methyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl)amino]acetic acid
CID 102295547

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid?
The IUPAC name of (2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid (CID 2305654) is (2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid.
What is the SMILES notation for (2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid?
The canonical SMILES for (2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid is O=C(O)CC(CC(F)(F)C(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of (2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid?
The InChIKey is LSASNNWMPFETSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F7O4/c9-6(10,7(11,12)8(13,14)15)2-3(5(18)19)1-4(16)17/h3H,1-2H2,(H,16,17)(H,18,19).
What are the key properties of (2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid?
(2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid has a molecular weight of 300.13 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2,3,3,4,4,4-heptafluorobutyl)butanedioic acid is sourced from PubChem (CID 2305654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).