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

C6H12F2N2O2 — CID 103731755

IUPAC3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCC(O)C(F)F
InChIInChI=1S/C6H12F2N2O2/c1-10(2)6(12)9-3-4(11)5(7)8/h4-5,11H,3H2,1-2H3,(H,9,12)
InChIKeyLHJDBDZFVPXAID-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.12
Rot. Bonds3

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

3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea (PubChem CID 103731755) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea
PubChem CID103731755
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCC(O)C(F)F
InChIInChI=1S/C6H12F2N2O2/c1-10(2)6(12)9-3-4(11)5(7)8/h4-5,11H,3H2,1-2H3,(H,9,12)
InChIKeyLHJDBDZFVPXAID-UHFFFAOYSA-N
XLogP-0.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea?
The IUPAC name of 3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea (CID 103731755) is 3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea is CN(C)C(=O)NCC(O)C(F)F.
What is the InChIKey of 3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea?
The InChIKey is LHJDBDZFVPXAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c1-10(2)6(12)9-3-4(11)5(7)8/h4-5,11H,3H2,1-2H3,(H,9,12).
What are the key properties of 3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea?
3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea has a molecular weight of 182.17 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoro-2-hydroxypropyl)-1,1-dimethylurea is sourced from PubChem (CID 103731755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).