(4-fluorocyclohexyl) N-phenylcarbamate

C13H16FNO2 — CID 5238928

IUPAC(4-fluorocyclohexyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1CCC(F)CC1
InChIInChI=1S/C13H16FNO2/c14-10-6-8-12(9-7-10)17-13(16)15-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,15,16)
InChIKeySFJVABHRRARTIZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP3.52
Rot. Bonds2

About (4-fluorocyclohexyl) N-phenylcarbamate

(4-fluorocyclohexyl) N-phenylcarbamate (PubChem CID 5238928) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (4-fluorocyclohexyl) N-phenylcarbamate.

Molecular Properties

Compound Name(4-fluorocyclohexyl) N-phenylcarbamate
PubChem CID5238928
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(4-fluorocyclohexyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1CCC(F)CC1
InChIInChI=1S/C13H16FNO2/c14-10-6-8-12(9-7-10)17-13(16)15-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,15,16)
InChIKeySFJVABHRRARTIZ-UHFFFAOYSA-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 (4-fluorocyclohexyl) N-phenylcarbamate?
The IUPAC name of (4-fluorocyclohexyl) N-phenylcarbamate (CID 5238928) is (4-fluorocyclohexyl) N-phenylcarbamate.
What is the SMILES notation for (4-fluorocyclohexyl) N-phenylcarbamate?
The canonical SMILES for (4-fluorocyclohexyl) N-phenylcarbamate is O=C(Nc1ccccc1)OC1CCC(F)CC1.
What is the InChIKey of (4-fluorocyclohexyl) N-phenylcarbamate?
The InChIKey is SFJVABHRRARTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-10-6-8-12(9-7-10)17-13(16)15-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,15,16).
What are the key properties of (4-fluorocyclohexyl) N-phenylcarbamate?
(4-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 (4-fluorocyclohexyl) N-phenylcarbamate is sourced from PubChem (CID 5238928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).