4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine

C9H15F3N2 — CID 79208235

IUPAC4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CNCCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2/c10-9(11,12)3-4-14-6-7-1-2-8(13)5-7/h1-2,7-8,14H,3-6,13H2
InChIKeyHXLCREMILCYEDT-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.43
Rot. Bonds4

About 4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine

4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine (PubChem CID 79208235) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine
PubChem CID79208235
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CNCCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2/c10-9(11,12)3-4-14-6-7-1-2-8(13)5-7/h1-2,7-8,14H,3-6,13H2
InChIKeyHXLCREMILCYEDT-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
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 4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine (CID 79208235) is 4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine is NC1C=CC(CNCCC(F)(F)F)C1.
What is the InChIKey of 4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine?
The InChIKey is HXLCREMILCYEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c10-9(11,12)3-4-14-6-7-1-2-8(13)5-7/h1-2,7-8,14H,3-6,13H2.
What are the key properties of 4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine?
4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine has a molecular weight of 208.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3,3-trifluoropropylamino)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79208235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).