1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene

C14H14F6O2 — CID 134837623

IUPAC1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene
SMILESFC(F)(F)COC(OCC(F)(F)F)C1CCc2ccccc21
InChIInChI=1S/C14H14F6O2/c15-13(16,17)7-21-12(22-8-14(18,19)20)11-6-5-9-3-1-2-4-10(9)11/h1-4,11-12H,5-8H2
InChIKeyBPTGHFRLSMRXLL-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.20
Rot. Bonds5

About 1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene

1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene (PubChem CID 134837623) has the molecular formula C14H14F6O2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene
PubChem CID134837623
Molecular FormulaC14H14F6O2
Molecular Weight328.25 g/mol
Exact Mass328.09
IUPAC Name1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene
SMILESFC(F)(F)COC(OCC(F)(F)F)C1CCc2ccccc21
InChIInChI=1S/C14H14F6O2/c15-13(16,17)7-21-12(22-8-14(18,19)20)11-6-5-9-3-1-2-4-10(9)11/h1-4,11-12H,5-8H2
InChIKeyBPTGHFRLSMRXLL-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene
CID 147654820
1-(2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 18690782
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
CID 24702173
1-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 79575248
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65403573
2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
CID 61067994
1-(2,3-dihydro-1H-inden-1-yl)ethanesulfonamide
CID 67418342
1-(2,3-dihydro-1H-inden-1-yl)-2-phenylethanamine
CID 65405904
[1-(2,3-dihydro-1H-inden-1-yl)-2-methylbutyl]hydrazine
CID 105234483
(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65405327

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene (CID 134837623) is 1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene is FC(F)(F)COC(OCC(F)(F)F)C1CCc2ccccc21.
What is the InChIKey of 1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene?
The InChIKey is BPTGHFRLSMRXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6O2/c15-13(16,17)7-21-12(22-8-14(18,19)20)11-6-5-9-3-1-2-4-10(9)11/h1-4,11-12H,5-8H2.
What are the key properties of 1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene?
1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene has a molecular weight of 328.25 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2,2,2-trifluoroethoxy)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 134837623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).