1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea

C16H25F3N2O2 — CID 71929910

IUPAC1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC1(C)C(NC(=O)NC2CCCC(C(F)(F)F)C2)C2CCOC21
InChIInChI=1S/C16H25F3N2O2/c1-15(2)12(11-6-7-23-13(11)15)21-14(22)20-10-5-3-4-9(8-10)16(17,18)19/h9-13H,3-8H2,1-2H3,(H2,20,21,22)
InChIKeyVDPOKHUNEPXIRB-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.22
Rot. Bonds2

About 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea

1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 71929910) has the molecular formula C16H25F3N2O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID71929910
Molecular FormulaC16H25F3N2O2
Molecular Weight334.38 g/mol
Exact Mass334.19
IUPAC Name1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC1(C)C(NC(=O)NC2CCCC(C(F)(F)F)C2)C2CCOC21
InChIInChI=1S/C16H25F3N2O2/c1-15(2)12(11-6-7-23-13(11)15)21-14(22)20-10-5-3-4-9(8-10)16(17,18)19/h9-13H,3-8H2,1-2H3,(H2,20,21,22)
InChIKeyVDPOKHUNEPXIRB-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 71929910) is 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea is CC1(C)C(NC(=O)NC2CCCC(C(F)(F)F)C2)C2CCOC21.
What is the InChIKey of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is VDPOKHUNEPXIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O2/c1-15(2)12(11-6-7-23-13(11)15)21-14(22)20-10-5-3-4-9(8-10)16(17,18)19/h9-13H,3-8H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 334.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 71929910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).