ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate

C10H12F2O2 — CID 70806815

IUPACethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C\C1=C[C@H](F)[C@H](F)C1
InChIInChI=1S/C10H12F2O2/c1-2-14-10(13)4-3-7-5-8(11)9(12)6-7/h3-5,8-9H,2,6H2,1H3/b4-3-/t8-,9+/m0/s1
InChIKeyUWFORJHWJULQAC-HNRDENNGSA-N
MW202.20 g/mol
LogP2.11
Rot. Bonds3

About ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate

ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate (PubChem CID 70806815) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate
PubChem CID70806815
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Nameethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C\C1=C[C@H](F)[C@H](F)C1
InChIInChI=1S/C10H12F2O2/c1-2-14-10(13)4-3-7-5-8(11)9(12)6-7/h3-5,8-9H,2,6H2,1H3/b4-3-/t8-,9+/m0/s1
InChIKeyUWFORJHWJULQAC-HNRDENNGSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-(2,3-dihydrothiophen-4-yl)prop-2-enoate
CID 10487745
ethyl (E)-3-[(1S,2S)-2-methylcyclopropyl]prop-2-enoate
CID 101160794
ethyl (E)-3-(2,3-dihydro-1H-pyrrol-4-yl)prop-2-enoate
CID 170181231
ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate
CID 54216682
ethyl 3-(5-cyclopropylpyrimidin-2-yl)prop-2-enoate
CID 150482819
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoate
CID 11608661
ethyl 3-(3-chloro-2-bicyclo[3.1.0]hex-2-enyl)prop-2-enoate
CID 72536532
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate
CID 169480006
ethyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
CID 169480514
ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate
CID 169480131

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate (CID 70806815) is ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate is CCOC(=O)/C=C\C1=C[C@H](F)[C@H](F)C1.
What is the InChIKey of ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate?
The InChIKey is UWFORJHWJULQAC-HNRDENNGSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-2-14-10(13)4-3-7-5-8(11)9(12)6-7/h3-5,8-9H,2,6H2,1H3/b4-3-/t8-,9+/m0/s1.
What are the key properties of ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate?
ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate has a molecular weight of 202.20 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate is sourced from PubChem (CID 70806815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).