1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea

C10H18F3N3O — CID 66581418

IUPAC1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea
SMILESCNC(=O)NC1CCCC[C@H]1NCC(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-14-9(17)16-8-5-3-2-4-7(8)15-6-10(11,12)13/h7-8,15H,2-6H2,1H3,(H2,14,16,17)/t7-,8?/m1/s1
InChIKeyIFQKVIOLPAKYHI-GVHYBUMESA-N
MW253.27 g/mol
LogP1.38
Rot. Bonds3

About 1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea

1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea (PubChem CID 66581418) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea
PubChem CID66581418
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea
SMILESCNC(=O)NC1CCCC[C@H]1NCC(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-14-9(17)16-8-5-3-2-4-7(8)15-6-10(11,12)13/h7-8,15H,2-6H2,1H3,(H2,14,16,17)/t7-,8?/m1/s1
InChIKeyIFQKVIOLPAKYHI-GVHYBUMESA-N
XLogP1.38
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea?
The IUPAC name of 1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea (CID 66581418) is 1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea.
What is the SMILES notation for 1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea?
The canonical SMILES for 1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea is CNC(=O)NC1CCCC[C@H]1NCC(F)(F)F.
What is the InChIKey of 1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea?
The InChIKey is IFQKVIOLPAKYHI-GVHYBUMESA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-14-9(17)16-8-5-3-2-4-7(8)15-6-10(11,12)13/h7-8,15H,2-6H2,1H3,(H2,14,16,17)/t7-,8?/m1/s1.
What are the key properties of 1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea?
1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea has a molecular weight of 253.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea is sourced from PubChem (CID 66581418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).