1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea

C6H9F3N2O — CID 89147730

IUPAC1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea
SMILESCNC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C6H9F3N2O/c1-10-4(12)11-5(2-3-5)6(7,8)9/h2-3H2,1H3,(H2,10,11,12)
InChIKeyAHIIAJCOAUMVAT-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.01
Rot. Bonds1

About 1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea

1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea (PubChem CID 89147730) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea
PubChem CID89147730
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea
SMILESCNC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C6H9F3N2O/c1-10-4(12)11-5(2-3-5)6(7,8)9/h2-3H2,1H3,(H2,10,11,12)
InChIKeyAHIIAJCOAUMVAT-UHFFFAOYSA-N
XLogP1.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea?
The IUPAC name of 1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea (CID 89147730) is 1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea.
What is the SMILES notation for 1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea?
The canonical SMILES for 1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea is CNC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea?
The InChIKey is AHIIAJCOAUMVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-10-4(12)11-5(2-3-5)6(7,8)9/h2-3H2,1H3,(H2,10,11,12).
What are the key properties of 1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea?
1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea has a molecular weight of 182.14 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(trifluoromethyl)cyclopropyl]urea is sourced from PubChem (CID 89147730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).