1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea

C9H15F3N2O2 — CID 114750427

IUPAC1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)NCC1(CCO)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-14-7(16)13-5-8(1-2-8)3-4-15/h15H,1-6H2,(H2,13,14,16)
InChIKeyNXGQTIKVFDGYLB-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.01
Rot. Bonds5

About 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea

1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 114750427) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID114750427
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)NCC1(CCO)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-14-7(16)13-5-8(1-2-8)3-4-15/h15H,1-6H2,(H2,13,14,16)
InChIKeyNXGQTIKVFDGYLB-UHFFFAOYSA-N
XLogP1.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea (CID 114750427) is 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)NCC1(CCO)CC1.
What is the InChIKey of 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is NXGQTIKVFDGYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-14-7(16)13-5-8(1-2-8)3-4-15/h15H,1-6H2,(H2,13,14,16).
What are the key properties of 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 240.22 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 114750427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).