[(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate

C11H18FNO2 — CID 170118615

IUPAC[(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate
SMILESC=C[C@H]1C[C@@H](F)[C@@H](OC(=O)NC(C)C)C1
InChIInChI=1S/C11H18FNO2/c1-4-8-5-9(12)10(6-8)15-11(14)13-7(2)3/h4,7-10H,1,5-6H2,2-3H3,(H,13,14)/t8-,9+,10-/m0/s1
InChIKeyZXPRIWZWYDAPLR-AEJSXWLSSA-N
MW215.27 g/mol
LogP2.42
Rot. Bonds3

About [(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate

[(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate (PubChem CID 170118615) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is [(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate
PubChem CID170118615
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name[(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate
SMILESC=C[C@H]1C[C@@H](F)[C@@H](OC(=O)NC(C)C)C1
InChIInChI=1S/C11H18FNO2/c1-4-8-5-9(12)10(6-8)15-11(14)13-7(2)3/h4,7-10H,1,5-6H2,2-3H3,(H,13,14)/t8-,9+,10-/m0/s1
InChIKeyZXPRIWZWYDAPLR-AEJSXWLSSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate (CID 170118615) is [(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate is C=C[C@H]1C[C@@H](F)[C@@H](OC(=O)NC(C)C)C1.
What is the InChIKey of [(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is ZXPRIWZWYDAPLR-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-4-8-5-9(12)10(6-8)15-11(14)13-7(2)3/h4,7-10H,1,5-6H2,2-3H3,(H,13,14)/t8-,9+,10-/m0/s1.
What are the key properties of [(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate?
[(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 215.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 170118615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).