1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea

C12H22F3N3O2 — CID 84583863

IUPAC1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea
SMILESCN(CCNC(=O)NC1CCC(O)CC1)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c1-18(8-12(13,14)15)7-6-16-11(20)17-9-2-4-10(19)5-3-9/h9-10,19H,2-8H2,1H3,(H2,16,17,20)
InChIKeyYDPPTCYNYOKABZ-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.08
Rot. Bonds5

About 1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea

1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea (PubChem CID 84583863) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea
PubChem CID84583863
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea
SMILESCN(CCNC(=O)NC1CCC(O)CC1)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c1-18(8-12(13,14)15)7-6-16-11(20)17-9-2-4-10(19)5-3-9/h9-10,19H,2-8H2,1H3,(H2,16,17,20)
InChIKeyYDPPTCYNYOKABZ-UHFFFAOYSA-N
XLogP1.08
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea (CID 84583863) is 1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea is CN(CCNC(=O)NC1CCC(O)CC1)CC(F)(F)F.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea?
The InChIKey is YDPPTCYNYOKABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-18(8-12(13,14)15)7-6-16-11(20)17-9-2-4-10(19)5-3-9/h9-10,19H,2-8H2,1H3,(H2,16,17,20).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea?
1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea has a molecular weight of 297.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]urea is sourced from PubChem (CID 84583863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).