1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea

C14H17F3N2O2 — CID 60765046

IUPAC1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CCC(O)CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-2-1-3-11(8-9)19-13(21)18-10-4-6-12(20)7-5-10/h1-3,8,10,12,20H,4-7H2,(H2,18,19,21)
InChIKeyURTXKIJOEABFLH-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.13
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 60765046) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID60765046
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CCC(O)CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-2-1-3-11(8-9)19-13(21)18-10-4-6-12(20)7-5-10/h1-3,8,10,12,20H,4-7H2,(H2,18,19,21)
InChIKeyURTXKIJOEABFLH-UHFFFAOYSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 60765046) is 1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is URTXKIJOEABFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)9-2-1-3-11(8-9)19-13(21)18-10-4-6-12(20)7-5-10/h1-3,8,10,12,20H,4-7H2,(H2,18,19,21).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 302.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 60765046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).