1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea

C7H13F3N2O2 — CID 111509204

IUPAC1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea
SMILESCC(CO)NC(=O)NCCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-5(4-13)12-6(14)11-3-2-7(8,9)10/h5,13H,2-4H2,1H3,(H2,11,12,14)
InChIKeyWIKBXRIOEGCWCU-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.62
Rot. Bonds4

About 1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea

1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea (PubChem CID 111509204) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea
PubChem CID111509204
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea
SMILESCC(CO)NC(=O)NCCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-5(4-13)12-6(14)11-3-2-7(8,9)10/h5,13H,2-4H2,1H3,(H2,11,12,14)
InChIKeyWIKBXRIOEGCWCU-UHFFFAOYSA-N
XLogP0.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)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-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea (CID 111509204) is 1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea is CC(CO)NC(=O)NCCC(F)(F)F.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea?
The InChIKey is WIKBXRIOEGCWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-5(4-13)12-6(14)11-3-2-7(8,9)10/h5,13H,2-4H2,1H3,(H2,11,12,14).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea?
1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea has a molecular weight of 214.19 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 111509204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).