fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate

C7H10F2N2O2 — CID 174810150

IUPACfluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate
SMILESN[C@@H]1CCN(C(=CF)C(=O)OF)C1
InChIInChI=1S/C7H10F2N2O2/c8-3-6(7(12)13-9)11-2-1-5(10)4-11/h3,5H,1-2,4,10H2/t5-/m1/s1
InChIKeyXYPXDCBNMVNEIV-RXMQYKEDSA-N
MW192.16 g/mol
LogP0.26
Rot. Bonds2

About fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate

fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate (PubChem CID 174810150) has the molecular formula C7H10F2N2O2 and a molecular weight of 192.16 g/mol. Its IUPAC name is fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate.

Molecular Properties

Compound Namefluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate
PubChem CID174810150
Molecular FormulaC7H10F2N2O2
Molecular Weight192.16 g/mol
Exact Mass192.07
IUPAC Namefluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate
SMILESN[C@@H]1CCN(C(=CF)C(=O)OF)C1
InChIInChI=1S/C7H10F2N2O2/c8-3-6(7(12)13-9)11-2-1-5(10)4-11/h3,5H,1-2,4,10H2/t5-/m1/s1
InChIKeyXYPXDCBNMVNEIV-RXMQYKEDSA-N
XLogP0.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate?
The IUPAC name of fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate (CID 174810150) is fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate.
What is the SMILES notation for fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate?
The canonical SMILES for fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate is N[C@@H]1CCN(C(=CF)C(=O)OF)C1.
What is the InChIKey of fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate?
The InChIKey is XYPXDCBNMVNEIV-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10F2N2O2/c8-3-6(7(12)13-9)11-2-1-5(10)4-11/h3,5H,1-2,4,10H2/t5-/m1/s1.
What are the key properties of fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate?
fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate has a molecular weight of 192.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate is sourced from PubChem (CID 174810150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).