1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea

C5H10F2N2O2 — CID 104859024

IUPAC1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea
SMILESCNC(=O)NCC(F)(F)CO
InChIInChI=1S/C5H10F2N2O2/c1-8-4(11)9-2-5(6,7)3-10/h10H,2-3H2,1H3,(H2,8,9,11)
InChIKeyXINSGCHZXQGRIH-UHFFFAOYSA-N
MW168.14 g/mol
LogP-0.46
Rot. Bonds3

About 1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea

1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea (PubChem CID 104859024) has the molecular formula C5H10F2N2O2 and a molecular weight of 168.14 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea
PubChem CID104859024
Molecular FormulaC5H10F2N2O2
Molecular Weight168.14 g/mol
Exact Mass168.07
IUPAC Name1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea
SMILESCNC(=O)NCC(F)(F)CO
InChIInChI=1S/C5H10F2N2O2/c1-8-4(11)9-2-5(6,7)3-10/h10H,2-3H2,1H3,(H2,8,9,11)
InChIKeyXINSGCHZXQGRIH-UHFFFAOYSA-N
XLogP-0.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea?
The IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea (CID 104859024) is 1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea.
What is the SMILES notation for 1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea?
The canonical SMILES for 1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea is CNC(=O)NCC(F)(F)CO.
What is the InChIKey of 1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea?
The InChIKey is XINSGCHZXQGRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2/c1-8-4(11)9-2-5(6,7)3-10/h10H,2-3H2,1H3,(H2,8,9,11).
What are the key properties of 1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea?
1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea has a molecular weight of 168.14 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-hydroxypropyl)-3-methylurea is sourced from PubChem (CID 104859024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).