3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea

C9H17FN2O — CID 130666835

IUPAC3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1(F)CCCC1
InChIInChI=1S/C9H17FN2O/c1-12(2)8(13)11-7-9(10)5-3-4-6-9/h3-7H2,1-2H3,(H,11,13)
InChIKeyQBGFGFYLRAXROQ-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.54
Rot. Bonds2

About 3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea

3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea (PubChem CID 130666835) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea
PubChem CID130666835
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1(F)CCCC1
InChIInChI=1S/C9H17FN2O/c1-12(2)8(13)11-7-9(10)5-3-4-6-9/h3-7H2,1-2H3,(H,11,13)
InChIKeyQBGFGFYLRAXROQ-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea (CID 130666835) is 3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea is CN(C)C(=O)NCC1(F)CCCC1.
What is the InChIKey of 3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea?
The InChIKey is QBGFGFYLRAXROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-12(2)8(13)11-7-9(10)5-3-4-6-9/h3-7H2,1-2H3,(H,11,13).
What are the key properties of 3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea?
3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea has a molecular weight of 188.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-fluorocyclopentyl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 130666835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).