[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea

C5H7F3N2O — CID 175918542

IUPAC[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea
SMILESNC(=O)N[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)2-1-3(2)10-4(9)11/h2-3H,1H2,(H3,9,10,11)/t2-,3-/m1/s1
InChIKeyOLLLTVZMWTZUBA-PWNYCUMCSA-N
MW168.12 g/mol
LogP0.61
Rot. Bonds1

About [(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea

[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea (PubChem CID 175918542) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is [(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea.

Molecular Properties

Compound Name[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea
PubChem CID175918542
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea
SMILESNC(=O)N[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)2-1-3(2)10-4(9)11/h2-3H,1H2,(H3,9,10,11)/t2-,3-/m1/s1
InChIKeyOLLLTVZMWTZUBA-PWNYCUMCSA-N
XLogP0.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea?
The IUPAC name of [(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea (CID 175918542) is [(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea.
What is the SMILES notation for [(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea?
The canonical SMILES for [(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea is NC(=O)N[C@@H]1C[C@H]1C(F)(F)F.
What is the InChIKey of [(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea?
The InChIKey is OLLLTVZMWTZUBA-PWNYCUMCSA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)2-1-3(2)10-4(9)11/h2-3H,1H2,(H3,9,10,11)/t2-,3-/m1/s1.
What are the key properties of [(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea?
[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea has a molecular weight of 168.12 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea is sourced from PubChem (CID 175918542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).