[3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate

C20H20F3NO2 — CID 11417166

IUPAC[3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)26-19(25)24-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H,24,25)
InChIKeyJYZZPZMZPZIKIU-UHFFFAOYSA-N
MW363.38 g/mol
LogP5.79
Rot. Bonds3

About [3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate

[3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate (PubChem CID 11417166) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is [3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate
PubChem CID11417166
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name[3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)26-19(25)24-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H,24,25)
InChIKeyJYZZPZMZPZIKIU-UHFFFAOYSA-N
XLogP5.79
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 ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexylcarbamic acid biphenyl-3-yl ester
CID 10108554
6-Hydroxy-[1,1'-biphenyl]-3-yl cyclohexylcarbamate
CID 44626363
3-Tert-butylphenyl sec-butylcarbamate
CID 124542
6-Methyl[1,1'-biphenyl]-3-yl cyclohexylcarbamate
CID 58801126
FAAH Inhibitor, 2h
CID 71699784
Naphthalen-2-yl cyclohexylcarbamate
CID 306585
1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-(2-phenylethyl)carbamate
CID 11003436
[4-[(Z)-2-phenylethenyl]phenyl] N-cyclohexylcarbamate
CID 11131063
Cyclohexyl-carbamic acid 3-pentyl-phenyl ester
CID 11140803
Cyclohexyl-carbamic acid 3''''-fluoro-biphenyl-3-yl ester
CID 11174440
Cyclohexyl-carbamic acid 3''''-methyl-biphenyl-3-yl ester
CID 11197633
[3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate
CID 11222499

Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate (CID 11417166) is [3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1cccc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of [3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate?
The InChIKey is JYZZPZMZPZIKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c21-20(22,23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)26-19(25)24-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H,24,25).
What are the key properties of [3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate?
[3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate has a molecular weight of 363.38 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 11417166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).