[2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate

C10H16FNO2 — CID 175067527

IUPAC[2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C(=C)F)N(C)C
InChIInChI=1S/C10H16FNO2/c1-7(2)10(13)14-6-9(8(3)11)12(4)5/h9H,1,3,6H2,2,4-5H3
InChIKeyCUUOUUNABIVGKJ-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.52
Rot. Bonds5

About [2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate

[2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate (PubChem CID 175067527) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is [2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate
PubChem CID175067527
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name[2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C(=C)F)N(C)C
InChIInChI=1S/C10H16FNO2/c1-7(2)10(13)14-6-9(8(3)11)12(4)5/h9H,1,3,6H2,2,4-5H3
InChIKeyCUUOUUNABIVGKJ-UHFFFAOYSA-N
XLogP1.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-2,3-dimethyl-5-(2-methylprop-2-enoyloxy)pent-2-enoic acid
CID 175270583
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid
CID 141058700
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate
CID 87071251
2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate
CID 54123031
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
[2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate
CID 57254396
2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate
CID 174639375

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate (CID 175067527) is [2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C(=C)F)N(C)C.
What is the InChIKey of [2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate?
The InChIKey is CUUOUUNABIVGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-7(2)10(13)14-6-9(8(3)11)12(4)5/h9H,1,3,6H2,2,4-5H3.
What are the key properties of [2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate?
[2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate has a molecular weight of 201.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate is sourced from PubChem (CID 175067527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).