3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine

C10H16F3NO — CID 65174408

IUPAC3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine
SMILESNC1C=C(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)7-15-5-1-2-8-3-4-9(14)6-8/h6,9H,1-5,7,14H2
InChIKeyWYSHHVCNKMKEST-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.39
Rot. Bonds5

About 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine

3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine (PubChem CID 65174408) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine
PubChem CID65174408
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine
SMILESNC1C=C(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)7-15-5-1-2-8-3-4-9(14)6-8/h6,9H,1-5,7,14H2
InChIKeyWYSHHVCNKMKEST-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.39
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 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine?
The IUPAC name of 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine (CID 65174408) is 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine?
The canonical SMILES for 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine is NC1C=C(CCCOCC(F)(F)F)CC1.
What is the InChIKey of 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine?
The InChIKey is WYSHHVCNKMKEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)7-15-5-1-2-8-3-4-9(14)6-8/h6,9H,1-5,7,14H2.
What are the key properties of 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine?
3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine has a molecular weight of 223.24 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 65174408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).