ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate

C9H14FNO2 — CID 170967235

IUPACethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(F)=C/C1CCCN1
InChIInChI=1S/C9H14FNO2/c1-2-13-9(12)8(10)6-7-4-3-5-11-7/h6-7,11H,2-5H2,1H3/b8-6-
InChIKeyFHRBDKYSTWEGTQ-VURMDHGXSA-N
MW187.21 g/mol
LogP1.15
Rot. Bonds3

About ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate

ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate (PubChem CID 170967235) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate
PubChem CID170967235
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Nameethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(F)=C/C1CCCN1
InChIInChI=1S/C9H14FNO2/c1-2-13-9(12)8(10)6-7-4-3-5-11-7/h6-7,11H,2-5H2,1H3/b8-6-
InChIKeyFHRBDKYSTWEGTQ-VURMDHGXSA-N
XLogP1.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 170967180
CID 170967180
CID 173582224
CID 173582224
CID 173582225
CID 173582225
CID 173582226
CID 173582226
CID 173642171
CID 173642171
CID 11206851
CID 11206851
CID 165887711
CID 165887711
CID 165897944
CID 165897944
CID 11298680
CID 11298680
CID 12155153
CID 12155153
CID 15482183
CID 15482183
CID 69629910
CID 69629910

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate?
The IUPAC name of ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate (CID 170967235) is ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate?
The canonical SMILES for ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate is CCOC(=O)/C(F)=C/C1CCCN1.
What is the InChIKey of ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate?
The InChIKey is FHRBDKYSTWEGTQ-VURMDHGXSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-2-13-9(12)8(10)6-7-4-3-5-11-7/h6-7,11H,2-5H2,1H3/b8-6-.
What are the key properties of ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate?
ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate has a molecular weight of 187.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoate is sourced from PubChem (CID 170967235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).