ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate

C8H10F2O2 — CID 118364434

IUPACethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate
SMILESCCOC(=O)C=CC1CC1(F)F
InChIInChI=1S/C8H10F2O2/c1-2-12-7(11)4-3-6-5-8(6,9)10/h3-4,6H,2,5H2,1H3
InChIKeyHPBPMYSJRMHNHT-UHFFFAOYSA-N
MW176.16 g/mol
LogP1.76
Rot. Bonds3

About ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate

ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate (PubChem CID 118364434) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate
PubChem CID118364434
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Nameethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate
SMILESCCOC(=O)C=CC1CC1(F)F
InChIInChI=1S/C8H10F2O2/c1-2-12-7(11)4-3-6-5-8(6,9)10/h3-4,6H,2,5H2,1H3
InChIKeyHPBPMYSJRMHNHT-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoate
CID 14347535
ethyl (E)-3-(2,2-diphenylcyclopropyl)prop-2-enoate
CID 14347536
ethyl (E)-3-[(1R)-2,2-diphenylcyclopropyl]prop-2-enoate
CID 14347534
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (E)-3-[(1S,2S)-2-methylcyclopropyl]prop-2-enoate
CID 101160794
ethyl 3-cyclobutylprop-2-enoate
CID 54090850
ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate
CID 52916277
ethyl (E)-3-(2,2,6,6-tetramethylcyclohexyl)prop-2-enoate
CID 140559738
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
ethyl (E)-3-[(4R,5R)-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 10913537
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
ethyl (E)-3-(3-methyloxiran-2-yl)prop-2-enoate
CID 6156658

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate?
The IUPAC name of ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate (CID 118364434) is ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate is CCOC(=O)C=CC1CC1(F)F.
What is the InChIKey of ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate?
The InChIKey is HPBPMYSJRMHNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2/c1-2-12-7(11)4-3-6-5-8(6,9)10/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate?
ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate has a molecular weight of 176.16 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate is sourced from PubChem (CID 118364434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).