[2,2-bis(trifluoromethyl)cyclopropyl]urea

C6H6F6N2O — CID 6420519

IUPAC[2,2-bis(trifluoromethyl)cyclopropyl]urea
SMILESNC(=O)NC1CC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6N2O/c7-5(8,9)4(6(10,11)12)1-2(4)14-3(13)15/h2H,1H2,(H3,13,14,15)
InChIKeyUWSXMIOAHOFAMS-UHFFFAOYSA-N
MW236.12 g/mol
LogP1.54
Rot. Bonds1

About [2,2-bis(trifluoromethyl)cyclopropyl]urea

[2,2-bis(trifluoromethyl)cyclopropyl]urea (PubChem CID 6420519) has the molecular formula C6H6F6N2O and a molecular weight of 236.12 g/mol. Its IUPAC name is [2,2-bis(trifluoromethyl)cyclopropyl]urea.

Molecular Properties

Compound Name[2,2-bis(trifluoromethyl)cyclopropyl]urea
PubChem CID6420519
Molecular FormulaC6H6F6N2O
Molecular Weight236.12 g/mol
Exact Mass236.04
IUPAC Name[2,2-bis(trifluoromethyl)cyclopropyl]urea
SMILESNC(=O)NC1CC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6N2O/c7-5(8,9)4(6(10,11)12)1-2(4)14-3(13)15/h2H,1H2,(H3,13,14,15)
InChIKeyUWSXMIOAHOFAMS-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,2-bis(trifluoromethyl)cyclopropyl]urea?
The IUPAC name of [2,2-bis(trifluoromethyl)cyclopropyl]urea (CID 6420519) is [2,2-bis(trifluoromethyl)cyclopropyl]urea.
What is the SMILES notation for [2,2-bis(trifluoromethyl)cyclopropyl]urea?
The canonical SMILES for [2,2-bis(trifluoromethyl)cyclopropyl]urea is NC(=O)NC1CC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2,2-bis(trifluoromethyl)cyclopropyl]urea?
The InChIKey is UWSXMIOAHOFAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6N2O/c7-5(8,9)4(6(10,11)12)1-2(4)14-3(13)15/h2H,1H2,(H3,13,14,15).
What are the key properties of [2,2-bis(trifluoromethyl)cyclopropyl]urea?
[2,2-bis(trifluoromethyl)cyclopropyl]urea has a molecular weight of 236.12 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(trifluoromethyl)cyclopropyl]urea is sourced from PubChem (CID 6420519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).