1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea

C11H20F2N2O — CID 164556261

IUPAC1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea
SMILESCC(C)[C@@H](C)NC(=O)NC1(C)CC(F)(F)C1
InChIInChI=1S/C11H20F2N2O/c1-7(2)8(3)14-9(16)15-10(4)5-11(12,13)6-10/h7-8H,5-6H2,1-4H3,(H2,14,15,16)/t8-/m1/s1
InChIKeyWVVKMCLIYCQESJ-MRVPVSSYSA-N
MW234.29 g/mol
LogP2.52
Rot. Bonds3

About 1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea

1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea (PubChem CID 164556261) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea
PubChem CID164556261
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea
SMILESCC(C)[C@@H](C)NC(=O)NC1(C)CC(F)(F)C1
InChIInChI=1S/C11H20F2N2O/c1-7(2)8(3)14-9(16)15-10(4)5-11(12,13)6-10/h7-8H,5-6H2,1-4H3,(H2,14,15,16)/t8-/m1/s1
InChIKeyWVVKMCLIYCQESJ-MRVPVSSYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea?
The IUPAC name of 1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea (CID 164556261) is 1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea.
What is the SMILES notation for 1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea?
The canonical SMILES for 1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea is CC(C)[C@@H](C)NC(=O)NC1(C)CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea?
The InChIKey is WVVKMCLIYCQESJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-7(2)8(3)14-9(16)15-10(4)5-11(12,13)6-10/h7-8H,5-6H2,1-4H3,(H2,14,15,16)/t8-/m1/s1.
What are the key properties of 1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea?
1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea has a molecular weight of 234.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea is sourced from PubChem (CID 164556261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).