1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

C11H18F3NO — CID 103207514

IUPAC1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1=CCCC1
InChIInChI=1S/C11H18F3NO/c1-2-15-10(9-5-3-4-6-9)7-16-8-11(12,13)14/h5,10,15H,2-4,6-8H2,1H3
InChIKeyYUZJULPQJKTOKG-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.65
Rot. Bonds6

About 1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207514) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207514
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1=CCCC1
InChIInChI=1S/C11H18F3NO/c1-2-15-10(9-5-3-4-6-9)7-16-8-11(12,13)14/h5,10,15H,2-4,6-8H2,1H3
InChIKeyYUZJULPQJKTOKG-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 102651938
1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 102651939
N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653779
N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653789
1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207502
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103207504
1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207505
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207506
1-(cyclohexen-1-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207507

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207514) is 1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is YUZJULPQJKTOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-2-15-10(9-5-3-4-6-9)7-16-8-11(12,13)14/h5,10,15H,2-4,6-8H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 237.26 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).