cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate

C20H20F3NO2 — CID 53348146

IUPACcyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate
SMILESO=C(Nc1cccc(-c2cccc(C(F)(F)F)c2)c1)OC1CCCCC1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)16-8-4-6-14(12-16)15-7-5-9-17(13-15)24-19(25)26-18-10-2-1-3-11-18/h4-9,12-13,18H,1-3,10-11H2,(H,24,25)
InChIKeyMHORXARLJQJRMN-UHFFFAOYSA-N
MW363.38 g/mol
LogP6.25
Rot. Bonds3

About cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate

cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate (PubChem CID 53348146) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate
PubChem CID53348146
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Namecyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate
SMILESO=C(Nc1cccc(-c2cccc(C(F)(F)F)c2)c1)OC1CCCCC1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)16-8-4-6-14(12-16)15-7-5-9-17(13-15)24-19(25)26-18-10-2-1-3-11-18/h4-9,12-13,18H,1-3,10-11H2,(H,24,25)
InChIKeyMHORXARLJQJRMN-UHFFFAOYSA-N
XLogP6.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.38
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate?
The IUPAC name of cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate (CID 53348146) is cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate.
What is the SMILES notation for cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate?
The canonical SMILES for cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate is O=C(Nc1cccc(-c2cccc(C(F)(F)F)c2)c1)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate?
The InChIKey is MHORXARLJQJRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c21-20(22,23)16-8-4-6-14(12-16)15-7-5-9-17(13-15)24-19(25)26-18-10-2-1-3-11-18/h4-9,12-13,18H,1-3,10-11H2,(H,24,25).
What are the key properties of cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate?
cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate has a molecular weight of 363.38 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate is sourced from PubChem (CID 53348146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).