1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea

C6H9F5N2O2 — CID 104858625

IUPAC1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)NCC(F)(F)CO
InChIInChI=1S/C6H9F5N2O2/c7-5(8,3-14)1-12-4(15)13-2-6(9,10)11/h14H,1-3H2,(H2,12,13,15)
InChIKeyXRMRWYGAWLMRFJ-UHFFFAOYSA-N
MW236.14 g/mol
LogP0.48
Rot. Bonds4

About 1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea

1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 104858625) has the molecular formula C6H9F5N2O2 and a molecular weight of 236.14 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID104858625
Molecular FormulaC6H9F5N2O2
Molecular Weight236.14 g/mol
Exact Mass236.06
IUPAC Name1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)NCC(F)(F)CO
InChIInChI=1S/C6H9F5N2O2/c7-5(8,3-14)1-12-4(15)13-2-6(9,10)11/h14H,1-3H2,(H2,12,13,15)
InChIKeyXRMRWYGAWLMRFJ-UHFFFAOYSA-N
XLogP0.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Bis(3-hydroxypropyl)urea
CID 11658371
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-(3-Hydroxypropyl)-3-(trifluoromethyl)urea
CID 108865955
(2-Fluoro-3-hydroxypropyl)urea
CID 135162928
1-(3,3-Difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 103731748
3-(2,2-Difluoro-3-hydroxypropyl)-1,1-dimethylurea
CID 104858636
1-Cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea
CID 104858637
3-(2,2-Difluoro-3-hydroxypropyl)-1,1-diethylurea
CID 104858812
1-(2,2-Difluoro-3-hydroxypropyl)-3-methylurea
CID 104859024

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea (CID 104858625) is 1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)NCC(F)(F)CO.
What is the InChIKey of 1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is XRMRWYGAWLMRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5N2O2/c7-5(8,3-14)1-12-4(15)13-2-6(9,10)11/h14H,1-3H2,(H2,12,13,15).
What are the key properties of 1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2,2-difluoro-3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 236.14 g/mol, XLogP of 0.48, 4 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-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 104858625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).