1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea

C9H15F3N2O2 — CID 114631432

IUPAC1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC1(C)C(O)CC1NC(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-8(2)5(3-6(8)15)14-7(16)13-4-9(10,11)12/h5-6,15H,3-4H2,1-2H3,(H2,13,14,16)
InChIKeyFSJPDKGSMCXMLV-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.01
Rot. Bonds2

About 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea

1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 114631432) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID114631432
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC1(C)C(O)CC1NC(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-8(2)5(3-6(8)15)14-7(16)13-4-9(10,11)12/h5-6,15H,3-4H2,1-2H3,(H2,13,14,16)
InChIKeyFSJPDKGSMCXMLV-UHFFFAOYSA-N
XLogP1.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea (CID 114631432) is 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea is CC1(C)C(O)CC1NC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is FSJPDKGSMCXMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-8(2)5(3-6(8)15)14-7(16)13-4-9(10,11)12/h5-6,15H,3-4H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea?
1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 240.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 114631432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).