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

C13H23F2NO — CID 103207517

IUPAC1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCC(F)F)C1=CCCC1
InChIInChI=1S/C13H23F2NO/c1-2-8-16-12(11-5-3-4-6-11)7-9-17-10-13(14)15/h5,12-13,16H,2-4,6-10H2,1H3
InChIKeySWBNRNVLRHPUKN-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.14
Rot. Bonds9

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

1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine (PubChem CID 103207517) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
PubChem CID103207517
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCC(F)F)C1=CCCC1
InChIInChI=1S/C13H23F2NO/c1-2-8-16-12(11-5-3-4-6-11)7-9-17-10-13(14)15/h5,12-13,16H,2-4,6-10H2,1H3
InChIKeySWBNRNVLRHPUKN-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine?
The IUPAC name of 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine (CID 103207517) is 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine?
The canonical SMILES for 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine is CCCNC(CCOCC(F)F)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine?
The InChIKey is SWBNRNVLRHPUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-2-8-16-12(11-5-3-4-6-11)7-9-17-10-13(14)15/h5,12-13,16H,2-4,6-10H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine?
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine has a molecular weight of 247.33 g/mol, XLogP of 3.14, 9 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-propylpropan-1-amine is sourced from PubChem (CID 103207517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).