cyclohexyl N-(2-fluorophenyl)carbamate

C13H16FNO2 — CID 127539169

IUPACcyclohexyl N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)OC1CCCCC1
InChIInChI=1S/C13H16FNO2/c14-11-8-4-5-9-12(11)15-13(16)17-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)
InChIKeyCQDZQOWDHBYRHU-UHFFFAOYSA-N
MW237.27 g/mol
LogP3.71
Rot. Bonds2

About cyclohexyl N-(2-fluorophenyl)carbamate

cyclohexyl N-(2-fluorophenyl)carbamate (PubChem CID 127539169) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is cyclohexyl N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Namecyclohexyl N-(2-fluorophenyl)carbamate
PubChem CID127539169
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namecyclohexyl N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)OC1CCCCC1
InChIInChI=1S/C13H16FNO2/c14-11-8-4-5-9-12(11)15-13(16)17-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)
InChIKeyCQDZQOWDHBYRHU-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-(2-fluorophenyl)carbamate?
The IUPAC name of cyclohexyl N-(2-fluorophenyl)carbamate (CID 127539169) is cyclohexyl N-(2-fluorophenyl)carbamate.
What is the SMILES notation for cyclohexyl N-(2-fluorophenyl)carbamate?
The canonical SMILES for cyclohexyl N-(2-fluorophenyl)carbamate is O=C(Nc1ccccc1F)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-(2-fluorophenyl)carbamate?
The InChIKey is CQDZQOWDHBYRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-8-4-5-9-12(11)15-13(16)17-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16).
What are the key properties of cyclohexyl N-(2-fluorophenyl)carbamate?
cyclohexyl N-(2-fluorophenyl)carbamate has a molecular weight of 237.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 127539169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).