2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

C11H18F2N2O — CID 82006574

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCOCC(F)F
InChIInChI=1S/C11H18F2N2O/c1-15-11(8-14)5-2-3-9(11)4-6-16-7-10(12)13/h9-10,15H,2-7H2,1H3
InChIKeyCGCPFYZGUWSPSE-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.94
Rot. Bonds6

About 2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 82006574) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID82006574
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCOCC(F)F
InChIInChI=1S/C11H18F2N2O/c1-15-11(8-14)5-2-3-9(11)4-6-16-7-10(12)13/h9-10,15H,2-7H2,1H3
InChIKeyCGCPFYZGUWSPSE-UHFFFAOYSA-N
XLogP1.94
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576565
1-(methylamino)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572611
2-[2-(cyclohexylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578007
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576809
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572034
2-[2-(1-ethoxypropan-2-yloxy)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 103489768
2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82959909
2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578001
1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576909
1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
CID 79576507
2-(2-pentan-2-yloxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 102983481
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576244

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 82006574) is 2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCOCC(F)F.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is CGCPFYZGUWSPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-15-11(8-14)5-2-3-9(11)4-6-16-7-10(12)13/h9-10,15H,2-7H2,1H3.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 232.27 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 82006574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).