1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea

C8H15F3N2O2 — CID 97257522

IUPAC1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
SMILESCC(C)NC(=O)N(C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-5(2)12-7(15)13(3)4-6(14)8(9,10)11/h5-6,14H,4H2,1-3H3,(H,12,15)/t6-/m1/s1
InChIKeyFMNXYEDHIRMHTI-ZCFIWIBFSA-N
MW228.21 g/mol
LogP0.96
Rot. Bonds3

About 1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea

1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea (PubChem CID 97257522) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
PubChem CID97257522
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
SMILESCC(C)NC(=O)N(C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-5(2)12-7(15)13(3)4-6(14)8(9,10)11/h5-6,14H,4H2,1-3H3,(H,12,15)/t6-/m1/s1
InChIKeyFMNXYEDHIRMHTI-ZCFIWIBFSA-N
XLogP0.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea?
The IUPAC name of 1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea (CID 97257522) is 1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea.
What is the SMILES notation for 1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea?
The canonical SMILES for 1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea is CC(C)NC(=O)N(C)C[C@@H](O)C(F)(F)F.
What is the InChIKey of 1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea?
The InChIKey is FMNXYEDHIRMHTI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-5(2)12-7(15)13(3)4-6(14)8(9,10)11/h5-6,14H,4H2,1-3H3,(H,12,15)/t6-/m1/s1.
What are the key properties of 1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea?
1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea has a molecular weight of 228.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea is sourced from PubChem (CID 97257522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).