[(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate

C13H16FNO2 — CID 10988293

IUPAC[(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C13H16FNO2/c14-11-8-4-5-9-12(11)17-13(16)15-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)/t11-,12-/m1/s1
InChIKeyQSIKAEBVKFJSFV-VXGBXAGGSA-N
MW237.27 g/mol
LogP3.52
Rot. Bonds2

About [(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate

[(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate (PubChem CID 10988293) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is [(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate
PubChem CID10988293
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C13H16FNO2/c14-11-8-4-5-9-12(11)17-13(16)15-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)/t11-,12-/m1/s1
InChIKeyQSIKAEBVKFJSFV-VXGBXAGGSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate?
The IUPAC name of [(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate (CID 10988293) is [(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate.
What is the SMILES notation for [(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate?
The canonical SMILES for [(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate is O=C(Nc1ccccc1)O[C@@H]1CCCC[C@H]1F.
What is the InChIKey of [(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate?
The InChIKey is QSIKAEBVKFJSFV-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-8-4-5-9-12(11)17-13(16)15-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)/t11-,12-/m1/s1.
What are the key properties of [(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate?
[(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate has a molecular weight of 237.27 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate is sourced from PubChem (CID 10988293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).