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

C14H18F3NO — CID 62622718

IUPAC2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine
SMILESNC1(CCCOCC(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)10-19-7-3-6-13(18)8-11-4-1-2-5-12(11)9-13/h1-2,4-5H,3,6-10,18H2
InChIKeyQODRHQAFAJKLOB-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.84
Rot. Bonds5

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

2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine (PubChem CID 62622718) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine
PubChem CID62622718
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine
SMILESNC1(CCCOCC(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)10-19-7-3-6-13(18)8-11-4-1-2-5-12(11)9-13/h1-2,4-5H,3,6-10,18H2
InChIKeyQODRHQAFAJKLOB-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine?
The IUPAC name of 2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine (CID 62622718) is 2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine is NC1(CCCOCC(F)(F)F)Cc2ccccc2C1.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine?
The InChIKey is QODRHQAFAJKLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)10-19-7-3-6-13(18)8-11-4-1-2-5-12(11)9-13/h1-2,4-5H,3,6-10,18H2.
What are the key properties of 2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine?
2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine has a molecular weight of 273.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 62622718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).