3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea

C9H16F2N2O — CID 115612018

IUPAC3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea
SMILESCN(CC(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C9H16F2N2O/c1-13(6-8(10)11)9(14)12-7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyXVIROLNBVLSMHG-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds3

About 3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea

3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea (PubChem CID 115612018) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea
PubChem CID115612018
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea
SMILESCN(CC(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C9H16F2N2O/c1-13(6-8(10)11)9(14)12-7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyXVIROLNBVLSMHG-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.84
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
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
CID 56826772
N-cyclopentyl-4,4-difluoropiperidine-1-carboxamide
CID 121184660
1-(4,4-Difluorocyclohexyl)-1,3-dimethylurea
CID 132292305
1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea
CID 164639619
1-Cyclopentyl-3-(trifluoromethyl)urea
CID 21511698
1-Methyl-3-(3-methylcyclopentyl)-1-(2,2,2-trifluoroethyl)urea
CID 68260672
3-(3-Ethylcyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 68260685
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-(2,2-difluoroethyl)-1-methylurea?
The IUPAC name of 3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea (CID 115612018) is 3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea.
What is the SMILES notation for 3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea?
The canonical SMILES for 3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea is CN(CC(F)F)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea?
The InChIKey is XVIROLNBVLSMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-13(6-8(10)11)9(14)12-7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H,12,14).
What are the key properties of 3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea?
3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea has a molecular weight of 206.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea is sourced from PubChem (CID 115612018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).