3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea

C11H19F3N2O2 — CID 97257519

IUPAC3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea
SMILESCN(C[C@H](O)C(F)(F)F)C(=O)NC1CCCCC1
InChIInChI=1S/C11H19F3N2O2/c1-16(7-9(17)11(12,13)14)10(18)15-8-5-3-2-4-6-8/h8-9,17H,2-7H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyLQWHXJUVWSZWPA-VIFPVBQESA-N
MW268.28 g/mol
LogP1.88
Rot. Bonds3

About 3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea

3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea (PubChem CID 97257519) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea
PubChem CID97257519
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea
SMILESCN(C[C@H](O)C(F)(F)F)C(=O)NC1CCCCC1
InChIInChI=1S/C11H19F3N2O2/c1-16(7-9(17)11(12,13)14)10(18)15-8-5-3-2-4-6-8/h8-9,17H,2-7H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyLQWHXJUVWSZWPA-VIFPVBQESA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea (CID 97257519) is 3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea is CN(C[C@H](O)C(F)(F)F)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea?
The InChIKey is LQWHXJUVWSZWPA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-16(7-9(17)11(12,13)14)10(18)15-8-5-3-2-4-6-8/h8-9,17H,2-7H2,1H3,(H,15,18)/t9-/m0/s1.
What are the key properties of 3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea?
3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea has a molecular weight of 268.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]urea is sourced from PubChem (CID 97257519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).