1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea

C7H10F6N2O — CID 71672205

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6N2O/c1-3(2)14-5(16)15-4(6(8,9)10)7(11,12)13/h3-4H,1-2H3,(H2,14,15,16)
InChIKeyUPTHALCJJQMRLY-UHFFFAOYSA-N
MW252.16 g/mol
LogP2.19
Rot. Bonds2

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea

1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea (PubChem CID 71672205) has the molecular formula C7H10F6N2O and a molecular weight of 252.16 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea
PubChem CID71672205
Molecular FormulaC7H10F6N2O
Molecular Weight252.16 g/mol
Exact Mass252.07
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6N2O/c1-3(2)14-5(16)15-4(6(8,9)10)7(11,12)13/h3-4H,1-2H3,(H2,14,15,16)
InChIKeyUPTHALCJJQMRLY-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea 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-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea (CID 71672205) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea is CC(C)NC(=O)NC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea?
The InChIKey is UPTHALCJJQMRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6N2O/c1-3(2)14-5(16)15-4(6(8,9)10)7(11,12)13/h3-4H,1-2H3,(H2,14,15,16).
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea?
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea has a molecular weight of 252.16 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-propan-2-ylurea is sourced from PubChem (CID 71672205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).