1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea

C12H15FN2O2 — CID 112690764

IUPAC1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
SMILESCC1(CNC(=O)Nc2ccccc2F)COC1
InChIInChI=1S/C12H15FN2O2/c1-12(7-17-8-12)6-14-11(16)15-10-5-3-2-4-9(10)13/h2-5H,6-8H2,1H3,(H2,14,15,16)
InChIKeyDPAMYRMWENNVOL-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.98
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea

1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea (PubChem CID 112690764) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
PubChem CID112690764
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
SMILESCC1(CNC(=O)Nc2ccccc2F)COC1
InChIInChI=1S/C12H15FN2O2/c1-12(7-17-8-12)6-14-11(16)15-10-5-3-2-4-9(10)13/h2-5H,6-8H2,1H3,(H2,14,15,16)
InChIKeyDPAMYRMWENNVOL-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea (CID 112690764) is 1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea is CC1(CNC(=O)Nc2ccccc2F)COC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea?
The InChIKey is DPAMYRMWENNVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-12(7-17-8-12)6-14-11(16)15-10-5-3-2-4-9(10)13/h2-5H,6-8H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea?
1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea has a molecular weight of 238.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea is sourced from PubChem (CID 112690764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).