2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid

C9H13FO4 — CID 86684661

IUPAC2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid
SMILESC=C(C)C(=O)OC(CC)C(F)C(=O)O
InChIInChI=1S/C9H13FO4/c1-4-6(7(10)8(11)12)14-9(13)5(2)3/h6-7H,2,4H2,1,3H3,(H,11,12)
InChIKeyMFENLINPGHVFBL-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.31
Rot. Bonds5

About 2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid

2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid (PubChem CID 86684661) has the molecular formula C9H13FO4 and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid.

Molecular Properties

Compound Name2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid
PubChem CID86684661
Molecular FormulaC9H13FO4
Molecular Weight204.20 g/mol
Exact Mass204.08
IUPAC Name2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid
SMILESC=C(C)C(=O)OC(CC)C(F)C(=O)O
InChIInChI=1S/C9H13FO4/c1-4-6(7(10)8(11)12)14-9(13)5(2)3/h6-7H,2,4H2,1,3H3,(H,11,12)
InChIKeyMFENLINPGHVFBL-UHFFFAOYSA-N
XLogP1.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
2-dimethylsilyloxypentan-3-yl 2-methylprop-2-enoate
CID 173371342
[5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)dodecan-3-yl] 2-methylprop-2-enoate
CID 123140049
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
1-phosphanylpropyl 2-methylprop-2-enoate
CID 155643080
1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 88627318
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597
3-chloro-2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174387747
1-bromobutyl 2-methylprop-2-enoate
CID 87523903
2-(2-methylprop-2-enoyloxy)-4-oxopentanoic acid
CID 174633103
propan-2-yl 2-methylprop-2-enoate
CID 146421311
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid?
The IUPAC name of 2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid (CID 86684661) is 2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid.
What is the SMILES notation for 2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid?
The canonical SMILES for 2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid is C=C(C)C(=O)OC(CC)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid?
The InChIKey is MFENLINPGHVFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO4/c1-4-6(7(10)8(11)12)14-9(13)5(2)3/h6-7H,2,4H2,1,3H3,(H,11,12).
What are the key properties of 2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid?
2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid has a molecular weight of 204.20 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid is sourced from PubChem (CID 86684661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).