(3,3,3-trifluoro-2-hydroxypropyl)urea

C4H7F3N2O2 — CID 90904681

IUPAC(3,3,3-trifluoro-2-hydroxypropyl)urea
SMILESNC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C4H7F3N2O2/c5-4(6,7)2(10)1-9-3(8)11/h2,10H,1H2,(H3,8,9,11)
InChIKeyCOLWEZJLIAAKTE-UHFFFAOYSA-N
MW172.11 g/mol
LogP-0.42
Rot. Bonds2

About (3,3,3-trifluoro-2-hydroxypropyl)urea

(3,3,3-trifluoro-2-hydroxypropyl)urea (PubChem CID 90904681) has the molecular formula C4H7F3N2O2 and a molecular weight of 172.11 g/mol. Its IUPAC name is (3,3,3-trifluoro-2-hydroxypropyl)urea.

Molecular Properties

Compound Name(3,3,3-trifluoro-2-hydroxypropyl)urea
PubChem CID90904681
Molecular FormulaC4H7F3N2O2
Molecular Weight172.11 g/mol
Exact Mass172.05
IUPAC Name(3,3,3-trifluoro-2-hydroxypropyl)urea
SMILESNC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C4H7F3N2O2/c5-4(6,7)2(10)1-9-3(8)11/h2,10H,1H2,(H3,8,9,11)
InChIKeyCOLWEZJLIAAKTE-UHFFFAOYSA-N
XLogP-0.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3,3-trifluoro-2-hydroxypropyl)urea?
The IUPAC name of (3,3,3-trifluoro-2-hydroxypropyl)urea (CID 90904681) is (3,3,3-trifluoro-2-hydroxypropyl)urea.
What is the SMILES notation for (3,3,3-trifluoro-2-hydroxypropyl)urea?
The canonical SMILES for (3,3,3-trifluoro-2-hydroxypropyl)urea is NC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of (3,3,3-trifluoro-2-hydroxypropyl)urea?
The InChIKey is COLWEZJLIAAKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O2/c5-4(6,7)2(10)1-9-3(8)11/h2,10H,1H2,(H3,8,9,11).
What are the key properties of (3,3,3-trifluoro-2-hydroxypropyl)urea?
(3,3,3-trifluoro-2-hydroxypropyl)urea has a molecular weight of 172.11 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,3-trifluoro-2-hydroxypropyl)urea is sourced from PubChem (CID 90904681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).