1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea

C16H21F3N2O2 — CID 56764252

IUPAC1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)15(23,12-7-3-1-4-8-12)11-20-14(22)21-13-9-5-2-6-10-13/h1,3-4,7-8,13,23H,2,5-6,9-11H2,(H2,20,21,22)
InChIKeyFZPCYGJBTYGIDK-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.07
Rot. Bonds4

About 1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea

1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea (PubChem CID 56764252) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
PubChem CID56764252
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)15(23,12-7-3-1-4-8-12)11-20-14(22)21-13-9-5-2-6-10-13/h1,3-4,7-8,13,23H,2,5-6,9-11H2,(H2,20,21,22)
InChIKeyFZPCYGJBTYGIDK-UHFFFAOYSA-N
XLogP3.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

US11078186, Example 66
CID 153313897
(R)-N-(4-Aminomethyl-cyclohexyl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 44308809
US11078186, Example 68
CID 134506884
US11078186, Example 67
CID 134506894
US11078186, Example 146
CID 134506983
US11078186, Example 69
CID 153313894
5-Pyrimidinol, hexahydro-2,2-dimethyl-5-phenyl-
CID 3087470
N-Dodecyl-N'-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 44456844
US11078186, Example 140
CID 148934598
US11078186, Example 143
CID 153088546
Benzhydrol, alpha-((sec-butylamino)methyl)-
CID 202716
Benzeneethanol, alpha-(((1-methylethyl)amino)methyl)-alpha-phenyl-
CID 3054347

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea (CID 56764252) is 1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea is O=C(NCC(O)(c1ccccc1)C(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea?
The InChIKey is FZPCYGJBTYGIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c17-16(18,19)15(23,12-7-3-1-4-8-12)11-20-14(22)21-13-9-5-2-6-10-13/h1,3-4,7-8,13,23H,2,5-6,9-11H2,(H2,20,21,22).
What are the key properties of 1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea?
1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea has a molecular weight of 330.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 56764252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).