N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine

C14H18F3NO — CID 103777337

IUPACN-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)COCCCNC1Cc2ccccc2C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)10-19-7-3-6-18-13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,13,18H,3,6-10H2
InChIKeyJHGBMNODTALDIL-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.71
Rot. Bonds6

About N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine

N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 103777337) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID103777337
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)COCCCNC1Cc2ccccc2C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)10-19-7-3-6-18-13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,13,18H,3,6-10H2
InChIKeyJHGBMNODTALDIL-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.71
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 N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine (CID 103777337) is N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine is FC(F)(F)COCCCNC1Cc2ccccc2C1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is JHGBMNODTALDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)10-19-7-3-6-18-13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,13,18H,3,6-10H2.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine?
N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 273.30 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 103777337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).