1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea

C10H13F3N2O2 — CID 115605710

IUPAC1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1ccc(CN(C)C(=O)NCC(F)(F)F)o1
InChIInChI=1S/C10H13F3N2O2/c1-7-3-4-8(17-7)5-15(2)9(16)14-6-10(11,12)13/h3-4H,5-6H2,1-2H3,(H,14,16)
InChIKeyUECPYYABVVJCPB-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.29
Rot. Bonds3

About 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea

1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115605710) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID115605710
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCc1ccc(CN(C)C(=O)NCC(F)(F)F)o1
InChIInChI=1S/C10H13F3N2O2/c1-7-3-4-8(17-7)5-15(2)9(16)14-6-10(11,12)13/h3-4H,5-6H2,1-2H3,(H,14,16)
InChIKeyUECPYYABVVJCPB-UHFFFAOYSA-N
XLogP2.29
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]benzoic acid
CID 61198276
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
(2S)-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 78967844
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
3-(3-cyclopentyloxypropyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 122566399
N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide
CID 43525988
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 43526496
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61199226
2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 76893225
1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
CID 81179940

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 115605710) is 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is Cc1ccc(CN(C)C(=O)NCC(F)(F)F)o1.
What is the InChIKey of 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is UECPYYABVVJCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-7-3-4-8(17-7)5-15(2)9(16)14-6-10(11,12)13/h3-4H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 250.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115605710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).