1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea

C14H17F3N2O2 — CID 4799088

IUPAC1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCCCC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-8-6-11(7-9-12)19-13(20)18-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,18,19,20)
InChIKeySDFLBLKQMVKOIZ-UHFFFAOYSA-N
MW302.30 g/mol
LogP4.04
Rot. Bonds3

About 1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea

1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 4799088) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID4799088
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCCCC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-8-6-11(7-9-12)19-13(20)18-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,18,19,20)
InChIKeySDFLBLKQMVKOIZ-UHFFFAOYSA-N
XLogP4.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea (CID 4799088) is 1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is SDFLBLKQMVKOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-8-6-11(7-9-12)19-13(20)18-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea?
1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 302.30 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 4799088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).