1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea

C13H15F3N2O2 — CID 75948763

IUPAC1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1ccc(F)c(F)c1F)NC1CCCCC1O
InChIInChI=1S/C13H15F3N2O2/c14-7-5-6-9(12(16)11(7)15)18-13(20)17-8-3-1-2-4-10(8)19/h5-6,8,10,19H,1-4H2,(H2,17,18,20)
InChIKeyDDATVNQMBSEIBE-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.53
Rot. Bonds2

About 1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea

1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 75948763) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID75948763
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1ccc(F)c(F)c1F)NC1CCCCC1O
InChIInChI=1S/C13H15F3N2O2/c14-7-5-6-9(12(16)11(7)15)18-13(20)17-8-3-1-2-4-10(8)19/h5-6,8,10,19H,1-4H2,(H2,17,18,20)
InChIKeyDDATVNQMBSEIBE-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea
CID 111103807
1-(2-hydroxycyclohexyl)-3-(3,4,5-trifluorophenyl)urea
CID 111459001
4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62358546
1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea
CID 47133044
1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 113321934
1-cyclopentyl-3-(2,3,4-trifluorophenyl)thiourea
CID 116507277
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 107796245
1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea (CID 75948763) is 1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea is O=C(Nc1ccc(F)c(F)c1F)NC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is DDATVNQMBSEIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-7-5-6-9(12(16)11(7)15)18-13(20)17-8-3-1-2-4-10(8)19/h5-6,8,10,19H,1-4H2,(H2,17,18,20).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea?
1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 288.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 75948763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).