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

C9H15F3N2O — CID 115629627

IUPAC3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea
SMILESCN(CC(F)(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C9H15F3N2O/c1-14(6-9(10,11)12)8(15)13-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,13,15)
InChIKeyJDCGRZDLOULWQY-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.13
Rot. Bonds2

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

3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 115629627) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea
PubChem CID115629627
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea
SMILESCN(CC(F)(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C9H15F3N2O/c1-14(6-9(10,11)12)8(15)13-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,13,15)
InChIKeyJDCGRZDLOULWQY-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-N'-cyclopentylurea
CID 4150224
N-Cyclopentyl-N'-methylurea
CID 13428331
N-cyclopentyl-4,4-difluoropiperidine-1-carboxamide
CID 121184660
1-(4,4-Difluorocyclohexyl)-1,3-dimethylurea
CID 132292305
1-Cyclohexyl-3-(2,2,2-trifluoroethyl)urea
CID 260200
1-Cyclopentyl-3-(trifluoromethyl)urea
CID 21511698
1-Cyclohexyl-3-(trifluoromethyl)urea
CID 53933988
1-Cyclohexyl-1-methyl-3-(trifluoromethyl)urea
CID 53957050
1-Methyl-3-(3-methylcyclopentyl)-1-(2,2,2-trifluoroethyl)urea
CID 68260672
1-Hexyl-3-(2,2,2-trifluoroethyl)urea
CID 78880728
(3,3-Difluorocyclopentyl)urea
CID 88975015
1-Hexan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 90348838

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea (CID 115629627) is 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea is CN(CC(F)(F)F)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is JDCGRZDLOULWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-14(6-9(10,11)12)8(15)13-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea?
3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 224.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115629627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).