[(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate

C12H18FNO2 — CID 170111593

IUPAC[(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESC=C[C@H]1CC[C@@H](OC(=O)NC2(C)CC2)[C@@H]1F
InChIInChI=1S/C12H18FNO2/c1-3-8-4-5-9(10(8)13)16-11(15)14-12(2)6-7-12/h3,8-10H,1,4-7H2,2H3,(H,14,15)/t8-,9+,10+/m0/s1
InChIKeySDAZWIGSANIVKZ-IVZWLZJFSA-N
MW227.28 g/mol
LogP2.57
Rot. Bonds3

About [(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 170111593) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is [(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID170111593
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name[(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESC=C[C@H]1CC[C@@H](OC(=O)NC2(C)CC2)[C@@H]1F
InChIInChI=1S/C12H18FNO2/c1-3-8-4-5-9(10(8)13)16-11(15)14-12(2)6-7-12/h3,8-10H,1,4-7H2,2H3,(H,14,15)/t8-,9+,10+/m0/s1
InChIKeySDAZWIGSANIVKZ-IVZWLZJFSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.57
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 [(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 170111593) is [(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is C=C[C@H]1CC[C@@H](OC(=O)NC2(C)CC2)[C@@H]1F.
What is the InChIKey of [(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is SDAZWIGSANIVKZ-IVZWLZJFSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-3-8-4-5-9(10(8)13)16-11(15)14-12(2)6-7-12/h3,8-10H,1,4-7H2,2H3,(H,14,15)/t8-,9+,10+/m0/s1.
What are the key properties of [(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 227.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-3-ethenyl-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 170111593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).