1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea

C15H26F6N2O — CID 71672034

IUPAC1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
SMILESCCCCCCCCCCNC(=O)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H26F6N2O/c1-3-4-5-6-7-8-9-10-11-22-12(24)23-13(2,14(16,17)18)15(19,20)21/h3-11H2,1-2H3,(H2,22,23,24)
InChIKeyPVFRCEUSWUHFQA-UHFFFAOYSA-N
MW364.37 g/mol
LogP5.31
Rot. Bonds10

About 1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea

1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea (PubChem CID 71672034) has the molecular formula C15H26F6N2O and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
PubChem CID71672034
Molecular FormulaC15H26F6N2O
Molecular Weight364.37 g/mol
Exact Mass364.19
IUPAC Name1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
SMILESCCCCCCCCCCNC(=O)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H26F6N2O/c1-3-4-5-6-7-8-9-10-11-22-12(24)23-13(2,14(16,17)18)15(19,20)21/h3-11H2,1-2H3,(H2,22,23,24)
InChIKeyPVFRCEUSWUHFQA-UHFFFAOYSA-N
XLogP5.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-hexylurea
CID 115571487
2-methyl-2-(pentylcarbamoylamino)propanoic acid
CID 18070358
1-butyl-3-octylurea
CID 17269600
2-methyl-2-(nonylcarbamoylamino)butanoic acid
CID 43129072
2-(butylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793296
2-(decylcarbamoylamino)-2-methylbutanoic acid
CID 63481197
3-(hexylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265326
N-decyl-2,2-bis(trifluoromethyl)butanamide
CID 5023706
1-propyl-3-tridecylurea
CID 10934987
1-(6,6-dimethylheptyl)-3-pentylurea
CID 143912834
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-icosylacetamide
CID 91692791

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The IUPAC name of 1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea (CID 71672034) is 1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is CCCCCCCCCCNC(=O)NC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The InChIKey is PVFRCEUSWUHFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F6N2O/c1-3-4-5-6-7-8-9-10-11-22-12(24)23-13(2,14(16,17)18)15(19,20)21/h3-11H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea has a molecular weight of 364.37 g/mol, XLogP of 5.31, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is sourced from PubChem (CID 71672034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).