1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea

C14H25F3N2O2 — CID 111120910

IUPAC1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC(C)C(C)(O)CNC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-9(2)13(3,21)8-18-12(20)19-11-6-4-5-10(7-11)14(15,16)17/h9-11,21H,4-8H2,1-3H3,(H2,18,19,20)
InChIKeyDIIRSKTVBJKWDW-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.81
Rot. Bonds4

About 1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea

1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 111120910) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID111120910
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC(C)C(C)(O)CNC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-9(2)13(3,21)8-18-12(20)19-11-6-4-5-10(7-11)14(15,16)17/h9-11,21H,4-8H2,1-3H3,(H2,18,19,20)
InChIKeyDIIRSKTVBJKWDW-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 111120910) is 1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea is CC(C)C(C)(O)CNC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is DIIRSKTVBJKWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-9(2)13(3,21)8-18-12(20)19-11-6-4-5-10(7-11)14(15,16)17/h9-11,21H,4-8H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 310.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 111120910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).