1-(fluoromethyl)-1-methyl-3-propan-2-ylurea

C6H13FN2O — CID 166564950

IUPAC1-(fluoromethyl)-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CF
InChIInChI=1S/C6H13FN2O/c1-5(2)8-6(10)9(3)4-7/h5H,4H2,1-3H3,(H,8,10)
InChIKeyJIRZMINVGHIHJR-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.96
Rot. Bonds2

About 1-(fluoromethyl)-1-methyl-3-propan-2-ylurea

1-(fluoromethyl)-1-methyl-3-propan-2-ylurea (PubChem CID 166564950) has the molecular formula C6H13FN2O and a molecular weight of 148.18 g/mol. Its IUPAC name is 1-(fluoromethyl)-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(fluoromethyl)-1-methyl-3-propan-2-ylurea
PubChem CID166564950
Molecular FormulaC6H13FN2O
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name1-(fluoromethyl)-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CF
InChIInChI=1S/C6H13FN2O/c1-5(2)8-6(10)9(3)4-7/h5H,4H2,1-3H3,(H,8,10)
InChIKeyJIRZMINVGHIHJR-UHFFFAOYSA-N
XLogP0.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-(fluoromethyl)-1-methyl-3-propan-2-ylurea (CID 166564950) is 1-(fluoromethyl)-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-(fluoromethyl)-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-(fluoromethyl)-1-methyl-3-propan-2-ylurea is CC(C)NC(=O)N(C)CF.
What is the InChIKey of 1-(fluoromethyl)-1-methyl-3-propan-2-ylurea?
The InChIKey is JIRZMINVGHIHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O/c1-5(2)8-6(10)9(3)4-7/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of 1-(fluoromethyl)-1-methyl-3-propan-2-ylurea?
1-(fluoromethyl)-1-methyl-3-propan-2-ylurea has a molecular weight of 148.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 166564950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).