1-propyl-3-(2,2,2-trifluoroethyl)urea

C6H11F3N2O — CID 54195899

IUPAC1-propyl-3-(2,2,2-trifluoroethyl)urea
SMILESCCCNC(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-2-3-10-5(12)11-4-6(7,8)9/h2-4H2,1H3,(H2,10,11,12)
InChIKeyNOCAZCHPKYJOGC-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.26
Rot. Bonds3

About 1-propyl-3-(2,2,2-trifluoroethyl)urea

1-propyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 54195899) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 1-propyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-propyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID54195899
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name1-propyl-3-(2,2,2-trifluoroethyl)urea
SMILESCCCNC(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-2-3-10-5(12)11-4-6(7,8)9/h2-4H2,1H3,(H2,10,11,12)
InChIKeyNOCAZCHPKYJOGC-UHFFFAOYSA-N
XLogP1.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-propyl-3-(2,2,2-trifluoroethyl)urea (CID 54195899) is 1-propyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-propyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-propyl-3-(2,2,2-trifluoroethyl)urea is CCCNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-propyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is NOCAZCHPKYJOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-2-3-10-5(12)11-4-6(7,8)9/h2-4H2,1H3,(H2,10,11,12).
What are the key properties of 1-propyl-3-(2,2,2-trifluoroethyl)urea?
1-propyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 184.16 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 54195899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).