1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea

C8H13F3N2O — CID 103721919

IUPAC1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC1(CNC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O/c1-7(2-3-7)4-12-6(14)13-5-8(9,10)11/h2-5H2,1H3,(H2,12,13,14)
InChIKeyLMVNZJBMYMOOPB-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.65
Rot. Bonds3

About 1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea

1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 103721919) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID103721919
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC1(CNC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O/c1-7(2-3-7)4-12-6(14)13-5-8(9,10)11/h2-5H2,1H3,(H2,12,13,14)
InChIKeyLMVNZJBMYMOOPB-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 103721919) is 1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea is CC1(CNC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is LMVNZJBMYMOOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-7(2-3-7)4-12-6(14)13-5-8(9,10)11/h2-5H2,1H3,(H2,12,13,14).
What are the key properties of 1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 210.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 103721919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).