2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate

C7H10F4N2O2 — CID 54123031

IUPAC2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CN(F)F)N(F)F
InChIInChI=1S/C7H10F4N2O2/c1-5(2)7(14)15-4-6(13(10)11)3-12(8)9/h6H,1,3-4H2,2H3
InChIKeyNPAVQWOAVPEWHM-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.62
Rot. Bonds6

About 2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate

2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate (PubChem CID 54123031) has the molecular formula C7H10F4N2O2 and a molecular weight of 230.16 g/mol. Its IUPAC name is 2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate
PubChem CID54123031
Molecular FormulaC7H10F4N2O2
Molecular Weight230.16 g/mol
Exact Mass230.07
IUPAC Name2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CN(F)F)N(F)F
InChIInChI=1S/C7H10F4N2O2/c1-5(2)7(14)15-4-6(13(10)11)3-12(8)9/h6H,1,3-4H2,2H3
InChIKeyNPAVQWOAVPEWHM-UHFFFAOYSA-N
XLogP1.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate
CID 87759268
[2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate
CID 175067527
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
2,3-diacetyloxypropyl 2-methylprop-2-enoate
CID 18979747
2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate
CID 87071251
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
[2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate
CID 87760965
[2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate
CID 57254396

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate?
The IUPAC name of 2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate (CID 54123031) is 2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CN(F)F)N(F)F.
What is the InChIKey of 2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate?
The InChIKey is NPAVQWOAVPEWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4N2O2/c1-5(2)7(14)15-4-6(13(10)11)3-12(8)9/h6H,1,3-4H2,2H3.
What are the key properties of 2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate?
2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate has a molecular weight of 230.16 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 54123031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).