1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea

C8H15F3N2O3 — CID 111509216

IUPAC1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea
SMILESCOCC(O)CNC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c1-16-5-6(14)4-13-7(15)12-3-2-8(9,10)11/h6,14H,2-5H2,1H3,(H2,12,13,15)
InChIKeyQBZJNICCNMTPFD-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.25
Rot. Bonds6

About 1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea

1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea (PubChem CID 111509216) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea
PubChem CID111509216
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea
SMILESCOCC(O)CNC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c1-16-5-6(14)4-13-7(15)12-3-2-8(9,10)11/h6,14H,2-5H2,1H3,(H2,12,13,15)
InChIKeyQBZJNICCNMTPFD-UHFFFAOYSA-N
XLogP0.25
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea (CID 111509216) is 1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea is COCC(O)CNC(=O)NCCC(F)(F)F.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea?
The InChIKey is QBZJNICCNMTPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3/c1-16-5-6(14)4-13-7(15)12-3-2-8(9,10)11/h6,14H,2-5H2,1H3,(H2,12,13,15).
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea?
1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea has a molecular weight of 244.21 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 111509216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).