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

C6H12F2N2O2 — CID 104858636

IUPAC3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCC(F)(F)CO
InChIInChI=1S/C6H12F2N2O2/c1-10(2)5(12)9-3-6(7,8)4-11/h11H,3-4H2,1-2H3,(H,9,12)
InChIKeyYGMVJZTXDPZCPJ-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.11
Rot. Bonds3

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

3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea (PubChem CID 104858636) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea
PubChem CID104858636
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCC(F)(F)CO
InChIInChI=1S/C6H12F2N2O2/c1-10(2)5(12)9-3-6(7,8)4-11/h11H,3-4H2,1-2H3,(H,9,12)
InChIKeyYGMVJZTXDPZCPJ-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-3-(3-hydroxypropyl)urea
CID 4113675
3-(3-Hydroxypropyl)-1,3-dimethylurea
CID 55287953
1-(3-Hydroxypropyl)-1-(trifluoromethyl)urea
CID 87441168
1-(Difluoromethyl)-1-(3-hydroxypropyl)urea
CID 87441454
1-Tert-butyl-3-(2,2-difluoro-3-hydroxypropyl)urea
CID 104859023
1-(3-Hydroxypropyl)-3-(trifluoromethyl)urea
CID 108865955
(2-Fluoro-3-hydroxypropyl)urea
CID 135162928
1,1-Dimethyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea
CID 15438823
1-Methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea
CID 15438824
3-(3,3-Difluoro-2-hydroxypropyl)-1,1-dimethylurea
CID 103731755
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 104858624
1-(2,2-Difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 104858625

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea?
The IUPAC name of 3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea (CID 104858636) is 3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea is CN(C)C(=O)NCC(F)(F)CO.
What is the InChIKey of 3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea?
The InChIKey is YGMVJZTXDPZCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c1-10(2)5(12)9-3-6(7,8)4-11/h11H,3-4H2,1-2H3,(H,9,12).
What are the key properties of 3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea?
3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea has a molecular weight of 182.17 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-3-hydroxypropyl)-1,1-dimethylurea is sourced from PubChem (CID 104858636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).