(1-cyclopropyl-2,2,2-trifluoroethyl)urea

C6H9F3N2O — CID 130718454

IUPAC(1-cyclopropyl-2,2,2-trifluoroethyl)urea
SMILESNC(=O)NC(C1CC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4(3-1-2-3)11-5(10)12/h3-4H,1-2H2,(H3,10,11,12)
InChIKeyJTBFDWOMLLYGSP-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.00
Rot. Bonds2

About (1-cyclopropyl-2,2,2-trifluoroethyl)urea

(1-cyclopropyl-2,2,2-trifluoroethyl)urea (PubChem CID 130718454) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is (1-cyclopropyl-2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name(1-cyclopropyl-2,2,2-trifluoroethyl)urea
PubChem CID130718454
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name(1-cyclopropyl-2,2,2-trifluoroethyl)urea
SMILESNC(=O)NC(C1CC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4(3-1-2-3)11-5(10)12/h3-4H,1-2H2,(H3,10,11,12)
InChIKeyJTBFDWOMLLYGSP-UHFFFAOYSA-N
XLogP1.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-2,2,2-trifluoroethyl)urea?
The IUPAC name of (1-cyclopropyl-2,2,2-trifluoroethyl)urea (CID 130718454) is (1-cyclopropyl-2,2,2-trifluoroethyl)urea.
What is the SMILES notation for (1-cyclopropyl-2,2,2-trifluoroethyl)urea?
The canonical SMILES for (1-cyclopropyl-2,2,2-trifluoroethyl)urea is NC(=O)NC(C1CC1)C(F)(F)F.
What is the InChIKey of (1-cyclopropyl-2,2,2-trifluoroethyl)urea?
The InChIKey is JTBFDWOMLLYGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)4(3-1-2-3)11-5(10)12/h3-4H,1-2H2,(H3,10,11,12).
What are the key properties of (1-cyclopropyl-2,2,2-trifluoroethyl)urea?
(1-cyclopropyl-2,2,2-trifluoroethyl)urea has a molecular weight of 182.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 130718454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).