[(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C12H18FNO2 — CID 170105679

IUPAC[(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESC[C@@H]1C[C@H](OC(=O)NC23CC(C2)C3)[C@@H](F)C1
InChIInChI=1S/C12H18FNO2/c1-7-2-9(13)10(3-7)16-11(15)14-12-4-8(5-12)6-12/h7-10H,2-6H2,1H3,(H,14,15)/t7-,8?,9-,10-,12?/m0/s1
InChIKeyASYGROBUQNTMBL-PNYXLPIBSA-N
MW227.28 g/mol
LogP2.40
Rot. Bonds2

About [(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 170105679) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is [(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Name[(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID170105679
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name[(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESC[C@@H]1C[C@H](OC(=O)NC23CC(C2)C3)[C@@H](F)C1
InChIInChI=1S/C12H18FNO2/c1-7-2-9(13)10(3-7)16-11(15)14-12-4-8(5-12)6-12/h7-10H,2-6H2,1H3,(H,14,15)/t7-,8?,9-,10-,12?/m0/s1
InChIKeyASYGROBUQNTMBL-PNYXLPIBSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of [(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 170105679) is [(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.
What is the SMILES notation for [(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for [(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is C[C@@H]1C[C@H](OC(=O)NC23CC(C2)C3)[C@@H](F)C1.
What is the InChIKey of [(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is ASYGROBUQNTMBL-PNYXLPIBSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-7-2-9(13)10(3-7)16-11(15)14-12-4-8(5-12)6-12/h7-10H,2-6H2,1H3,(H,14,15)/t7-,8?,9-,10-,12?/m0/s1.
What are the key properties of [(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
[(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 227.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-2-fluoro-4-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 170105679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).