1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea

C11H23FN2O2 — CID 110007197

IUPAC1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(CO)NC(=O)NCCCF
InChIInChI=1S/C11H23FN2O2/c1-11(2,3)7-9(8-15)14-10(16)13-6-4-5-12/h9,15H,4-8H2,1-3H3,(H2,13,14,16)
InChIKeyAJLIUWXBWSORPU-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.44
Rot. Bonds6

About 1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea

1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea (PubChem CID 110007197) has the molecular formula C11H23FN2O2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea
PubChem CID110007197
Molecular FormulaC11H23FN2O2
Molecular Weight234.31 g/mol
Exact Mass234.17
IUPAC Name1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(CO)NC(=O)NCCCF
InChIInChI=1S/C11H23FN2O2/c1-11(2,3)7-9(8-15)14-10(16)13-6-4-5-12/h9,15H,4-8H2,1-3H3,(H2,13,14,16)
InChIKeyAJLIUWXBWSORPU-UHFFFAOYSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea?
The IUPAC name of 1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea (CID 110007197) is 1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea.
What is the SMILES notation for 1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea?
The canonical SMILES for 1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea is CC(C)(C)CC(CO)NC(=O)NCCCF.
What is the InChIKey of 1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea?
The InChIKey is AJLIUWXBWSORPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O2/c1-11(2,3)7-9(8-15)14-10(16)13-6-4-5-12/h9,15H,4-8H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea?
1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea has a molecular weight of 234.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-(1-hydroxy-4,4-dimethylpentan-2-yl)urea is sourced from PubChem (CID 110007197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).