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

C9H14F3NO — CID 103207508

IUPAC1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1=CCCC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)6-14-5-8(13)7-3-1-2-4-7/h3,8H,1-2,4-6,13H2
InChIKeyYXACSHJGQIBDAG-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.00
Rot. Bonds4

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

1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207508) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207508
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1=CCCC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)6-14-5-8(13)7-3-1-2-4-7/h3,8H,1-2,4-6,13H2
InChIKeyYXACSHJGQIBDAG-UHFFFAOYSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohex-2-en-1-amine
CID 65172107
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopent-2-en-1-amine
CID 65174408
1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(Cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207499
1-(Cyclohexen-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207500
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(Cyclopenten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207509
1-(Cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207510
1-(cyclopenten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207511
1-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207514
N-[1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207516
1-(Cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207518

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207508) is 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is YXACSHJGQIBDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)6-14-5-8(13)7-3-1-2-4-7/h3,8H,1-2,4-6,13H2.
What are the key properties of 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 209.21 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).