1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea

C15H15F5N2O — CID 162524405

IUPAC1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea
SMILESO=C(NCc1cccc(C(F)F)c1)NC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C15H15F5N2O/c16-11(17)10-3-1-2-9(4-10)5-21-12(23)22-14-6-13(7-14,8-14)15(18,19)20/h1-4,11H,5-8H2,(H2,21,22,23)
InChIKeyQIZKGDOYUHDYGU-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.91
Rot. Bonds4

About 1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea

1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea (PubChem CID 162524405) has the molecular formula C15H15F5N2O and a molecular weight of 334.29 g/mol. Its IUPAC name is 1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea.

Molecular Properties

Compound Name1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea
PubChem CID162524405
Molecular FormulaC15H15F5N2O
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Name1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea
SMILESO=C(NCc1cccc(C(F)F)c1)NC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C15H15F5N2O/c16-11(17)10-3-1-2-9(4-10)5-21-12(23)22-14-6-13(7-14,8-14)15(18,19)20/h1-4,11H,5-8H2,(H2,21,22,23)
InChIKeyQIZKGDOYUHDYGU-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea with MolForge

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Related Compounds

1-Benzyl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 790168
N-[6-[[3-(trifluoromethyl)phenyl]methylamino]spiro[3.3]heptan-2-yl]prop-2-enamide
CID 166924871
[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]urea
CID 118753386
US20250002452, Example 7
CID 162524342
US20250002452, Example 11
CID 162524348
US20250002452, Example 20
CID 162524361
US20250002452, Example 23
CID 162524385
US20250002452, Example 51
CID 162524390
US20250002452, Example 22
CID 162524406
US20250002452, Example 5
CID 169150528
US20250002452, Example 19
CID 169150534
US20250002452, Example 47
CID 169150540

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea?
The IUPAC name of 1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea (CID 162524405) is 1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea.
What is the SMILES notation for 1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea?
The canonical SMILES for 1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea is O=C(NCc1cccc(C(F)F)c1)NC12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of 1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea?
The InChIKey is QIZKGDOYUHDYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F5N2O/c16-11(17)10-3-1-2-9(4-10)5-21-12(23)22-14-6-13(7-14,8-14)15(18,19)20/h1-4,11H,5-8H2,(H2,21,22,23).
What are the key properties of 1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea?
1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea has a molecular weight of 334.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethyl)phenyl]methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea is sourced from PubChem (CID 162524405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).