1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea

C10H17F3N2O2 — CID 111425531

IUPAC1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(O)C1CCCC1)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)6-15-9(17)14-5-8(16)7-3-1-2-4-7/h7-8,16H,1-6H2,(H2,14,15,17)
InChIKeyLVFSNDQXQINZAH-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.40
Rot. Bonds4

About 1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 111425531) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID111425531
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(O)C1CCCC1)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)6-15-9(17)14-5-8(16)7-3-1-2-4-7/h7-8,16H,1-6H2,(H2,14,15,17)
InChIKeyLVFSNDQXQINZAH-UHFFFAOYSA-N
XLogP1.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea (CID 111425531) is 1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(O)C1CCCC1)NCC(F)(F)F.
What is the InChIKey of 1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is LVFSNDQXQINZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)6-15-9(17)14-5-8(16)7-3-1-2-4-7/h7-8,16H,1-6H2,(H2,14,15,17).
What are the key properties of 1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 254.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 111425531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).