tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate

C18H23FN2O3 — CID 23067987

IUPACtert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2ccc(C#N)c(F)c2)CC1
InChIInChI=1S/C18H23FN2O3/c1-18(2,3)24-17(22)21-13-5-8-14(9-6-13)23-15-7-4-12(11-20)16(19)10-15/h4,7,10,13-14H,5-6,8-9H2,1-3H3,(H,21,22)
InChIKeyNLQDLFSQFVIHCK-UHFFFAOYSA-N
MW334.39 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate

tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate (PubChem CID 23067987) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate
PubChem CID23067987
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Nametert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2ccc(C#N)c(F)c2)CC1
InChIInChI=1S/C18H23FN2O3/c1-18(2,3)24-17(22)21-13-5-8-14(9-6-13)23-15-7-4-12(11-20)16(19)10-15/h4,7,10,13-14H,5-6,8-9H2,1-3H3,(H,21,22)
InChIKeyNLQDLFSQFVIHCK-UHFFFAOYSA-N
XLogP3.91
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate (CID 23067987) is tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Oc2ccc(C#N)c(F)c2)CC1.
What is the InChIKey of tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate?
The InChIKey is NLQDLFSQFVIHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-18(2,3)24-17(22)21-13-5-8-14(9-6-13)23-15-7-4-12(11-20)16(19)10-15/h4,7,10,13-14H,5-6,8-9H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate?
tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate has a molecular weight of 334.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]carbamate is sourced from PubChem (CID 23067987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).