1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide

C16H26FNO5 — CID 88627318

IUPAC1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC(F)CC.C=C(C)C(N)=O
InChIInChI=1S/C7H11FO2.C5H8O2.C4H7NO/c1-4-6(8)10-7(9)5(2)3;1-4(2)5(6)7-3;1-3(2)4(5)6/h6H,2,4H2,1,3H3;1H2,2-3H3;1H2,2H3,(H2,5,6)
InChIKeyWTRUFZQEITUKFM-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.59
Rot. Bonds5

About 1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide

1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide (PubChem CID 88627318) has the molecular formula C16H26FNO5 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide.

Molecular Properties

Compound Name1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide
PubChem CID88627318
Molecular FormulaC16H26FNO5
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC(F)CC.C=C(C)C(N)=O
InChIInChI=1S/C7H11FO2.C5H8O2.C4H7NO/c1-4-6(8)10-7(9)5(2)3;1-4(2)5(6)7-3;1-3(2)4(5)6/h6H,2,4H2,1,3H3;1H2,2-3H3;1H2,2H3,(H2,5,6)
InChIKeyWTRUFZQEITUKFM-UHFFFAOYSA-N
XLogP2.59
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
[(E)-7-amino-6-methyl-7-oxohept-5-en-3-yl] 2-methylprop-2-enoate
CID 172526451
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
diaminomethyl 2-methylprop-2-enoate
CID 18522879
1,4,4,4-tetrafluorobutyl 2-methylprop-2-enoate
CID 87071252

Frequently Asked Questions

What is the IUPAC name of 1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide?
The IUPAC name of 1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide (CID 88627318) is 1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide.
What is the SMILES notation for 1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide?
The canonical SMILES for 1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide is C=C(C)C(=O)OC.C=C(C)C(=O)OC(F)CC.C=C(C)C(N)=O.
What is the InChIKey of 1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide?
The InChIKey is WTRUFZQEITUKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2.C5H8O2.C4H7NO/c1-4-6(8)10-7(9)5(2)3;1-4(2)5(6)7-3;1-3(2)4(5)6/h6H,2,4H2,1,3H3;1H2,2-3H3;1H2,2H3,(H2,5,6).
What are the key properties of 1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide?
1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide has a molecular weight of 331.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enamide is sourced from PubChem (CID 88627318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).