ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate

C10H15FO4 — CID 54341988

IUPACethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate
SMILESCCOC(=O)C(F)=C[C@@H]1COC(C)(C)O1
InChIInChI=1S/C10H15FO4/c1-4-13-9(12)8(11)5-7-6-14-10(2,3)15-7/h5,7H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyTZPQAGNYGIEASI-SSDOTTSWSA-N
MW218.22 g/mol
LogP1.55
Rot. Bonds3

About ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate

ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate (PubChem CID 54341988) has the molecular formula C10H15FO4 and a molecular weight of 218.22 g/mol. Its IUPAC name is ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate
PubChem CID54341988
Molecular FormulaC10H15FO4
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Nameethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate
SMILESCCOC(=O)C(F)=C[C@@H]1COC(C)(C)O1
InChIInChI=1S/C10H15FO4/c1-4-13-9(12)8(11)5-7-6-14-10(2,3)15-7/h5,7H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyTZPQAGNYGIEASI-SSDOTTSWSA-N
XLogP1.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate with MolForge

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Related Compounds

3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
CID 23563702
(S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 6364657
Ethyl (R)-(-)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-trans-2-propenoate
CID 7269394
Methyl (S)-(+)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-trans-2-propenoate
CID 10921229
(S,E)-ethyl 3-(2,2-diMethyl-1,3-dioxolan-4-yl)-2-Methylacrylate
CID 11095961
(S,Z)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 11367648
ethyl (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11458548
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-2H-pyran-6-one
CID 134971172
methyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(trifluoromethyl)prop-2-enoate
CID 135041149
Methyl (S)-(+)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-cis-2-propenoate
CID 10012651
Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 2724857
tert-butyl (E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11107107

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate?
The IUPAC name of ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate (CID 54341988) is ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate.
What is the SMILES notation for ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate?
The canonical SMILES for ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate is CCOC(=O)C(F)=C[C@@H]1COC(C)(C)O1.
What is the InChIKey of ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate?
The InChIKey is TZPQAGNYGIEASI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15FO4/c1-4-13-9(12)8(11)5-7-6-14-10(2,3)15-7/h5,7H,4,6H2,1-3H3/t7-/m1/s1.
What are the key properties of ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate?
ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate has a molecular weight of 218.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroprop-2-enoate is sourced from PubChem (CID 54341988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).