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

C11H19F3N2O — CID 103764920

IUPAC1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCCC1(CNC(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C11H19F3N2O/c1-2-10(5-3-4-6-10)7-15-9(17)16-8-11(12,13)14/h2-8H2,1H3,(H2,15,16,17)
InChIKeyZBBUYIBADRYXGY-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.82
Rot. Bonds4

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

1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 103764920) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID103764920
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCCC1(CNC(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C11H19F3N2O/c1-2-10(5-3-4-6-10)7-15-9(17)16-8-11(12,13)14/h2-8H2,1H3,(H2,15,16,17)
InChIKeyZBBUYIBADRYXGY-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea
CID 164639619
3-(3-Ethylcyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 68260685
3-(3-Tert-butylcyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 68260788
1-(Cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115579831
(4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 130358906
1-[2-(Methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea
CID 139506013
(3S)-3-ethyl-4-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 145355845
1-(2,2,6,6-Tetramethylheptan-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 146703842
3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 156532230
1-(2-Cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 55808869
1-(2-Cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 78851185
1-(2-Ethylhexyl)-3-(2,2,2-trifluoroethyl)urea
CID 78858199

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 103764920) is 1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea is CCC1(CNC(=O)NCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ZBBUYIBADRYXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-10(5-3-4-6-10)7-15-9(17)16-8-11(12,13)14/h2-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 252.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 103764920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).