4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine

C14H17F4N — CID 115496239

IUPAC4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCCCCC(F)(F)F
InChIInChI=1S/C14H17F4N/c15-12-5-3-4-11-10(12)6-7-13(11)19-9-2-1-8-14(16,17)18/h3-5,13,19H,1-2,6-9H2
InChIKeyOQOHMBVCXZLKIF-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.14
Rot. Bonds5

About 4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115496239) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115496239
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCCCCC(F)(F)F
InChIInChI=1S/C14H17F4N/c15-12-5-3-4-11-10(12)6-7-13(11)19-9-2-1-8-14(16,17)18/h3-5,13,19H,1-2,6-9H2
InChIKeyOQOHMBVCXZLKIF-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine (CID 115496239) is 4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine is Fc1cccc2c1CCC2NCCCCC(F)(F)F.
What is the InChIKey of 4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OQOHMBVCXZLKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c15-12-5-3-4-11-10(12)6-7-13(11)19-9-2-1-8-14(16,17)18/h3-5,13,19H,1-2,6-9H2.
What are the key properties of 4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115496239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).