1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea

C10H17F3N2O — CID 116656372

IUPAC1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC1CCC(NC(=O)NCC(F)(F)F)C1C
InChIInChI=1S/C10H17F3N2O/c1-6-3-4-8(7(6)2)15-9(16)14-5-10(11,12)13/h6-8H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyKBDPJXQLLAZGHV-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.28
Rot. Bonds2

About 1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea

1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 116656372) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID116656372
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC1CCC(NC(=O)NCC(F)(F)F)C1C
InChIInChI=1S/C10H17F3N2O/c1-6-3-4-8(7(6)2)15-9(16)14-5-10(11,12)13/h6-8H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyKBDPJXQLLAZGHV-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea (CID 116656372) is 1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea is CC1CCC(NC(=O)NCC(F)(F)F)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is KBDPJXQLLAZGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-6-3-4-8(7(6)2)15-9(16)14-5-10(11,12)13/h6-8H,3-5H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 238.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116656372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).