1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine

C11H19F2NO — CID 103207512

IUPAC1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)C1=CCCC1
InChIInChI=1S/C11H19F2NO/c1-14-10(9-4-2-3-5-9)6-7-15-8-11(12)13/h4,10-11,14H,2-3,5-8H2,1H3
InChIKeyJKVXZGLYJNHWBJ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.36
Rot. Bonds7

About 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine

1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine (PubChem CID 103207512) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
PubChem CID103207512
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)C1=CCCC1
InChIInChI=1S/C11H19F2NO/c1-14-10(9-4-2-3-5-9)6-7-15-8-11(12)13/h4,10-11,14H,2-3,5-8H2,1H3
InChIKeyJKVXZGLYJNHWBJ-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 106654804
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 106654780
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 103207219
3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 103149424
3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 103149318
3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine
CID 103149434
3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
CID 103149216
1-(cyclohexen-1-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657398
[1-(cycloocten-1-yl)-3-ethoxypropyl]hydrazine
CID 106650004
1-(cycloocten-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653108
1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103149403

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
The IUPAC name of 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine (CID 103207512) is 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
The canonical SMILES for 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine is CNC(CCOCC(F)F)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
The InChIKey is JKVXZGLYJNHWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-14-10(9-4-2-3-5-9)6-7-15-8-11(12)13/h4,10-11,14H,2-3,5-8H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine has a molecular weight of 219.27 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 103207512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).