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

C6H9F5N2O2 — CID 103731748

IUPAC1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(O)C(F)F)NCC(F)(F)F
InChIInChI=1S/C6H9F5N2O2/c7-4(8)3(14)1-12-5(15)13-2-6(9,10)11/h3-4,14H,1-2H2,(H2,12,13,15)
InChIKeyYXNGNNNJNDKMPS-UHFFFAOYSA-N
MW236.14 g/mol
LogP0.47
Rot. Bonds4

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

1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 103731748) has the molecular formula C6H9F5N2O2 and a molecular weight of 236.14 g/mol. Its IUPAC name is 1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID103731748
Molecular FormulaC6H9F5N2O2
Molecular Weight236.14 g/mol
Exact Mass236.06
IUPAC Name1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(O)C(F)F)NCC(F)(F)F
InChIInChI=1S/C6H9F5N2O2/c7-4(8)3(14)1-12-5(15)13-2-6(9,10)11/h3-4,14H,1-2H2,(H2,12,13,15)
InChIKeyYXNGNNNJNDKMPS-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea (CID 103731748) is 1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(O)C(F)F)NCC(F)(F)F.
What is the InChIKey of 1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is YXNGNNNJNDKMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5N2O2/c7-4(8)3(14)1-12-5(15)13-2-6(9,10)11/h3-4,14H,1-2H2,(H2,12,13,15).
What are the key properties of 1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 236.14 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-2-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 103731748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).