2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride

C10H13BF4O — CID 174984181

IUPAC2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride
SMILESC=O.F.FB(F)F.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.CH2O.BF3.FH/c1-2-5-9-7-3-6-8(9)4-1;1-2;2-1(3)4;/h1-2,4-5H,3,6-7H2;1H2;;1H
InChIKeyVEYFPUQRYRVFTG-UHFFFAOYSA-N
MW236.02 g/mol
LogP3.02
Rot. Bonds

About 2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride

2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride (PubChem CID 174984181) has the molecular formula C10H13BF4O and a molecular weight of 236.02 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride
PubChem CID174984181
Molecular FormulaC10H13BF4O
Molecular Weight236.02 g/mol
Exact Mass236.10
IUPAC Name2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride
SMILESC=O.F.FB(F)F.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.CH2O.BF3.FH/c1-2-5-9-7-3-6-8(9)4-1;1-2;2-1(3)4;/h1-2,4-5H,3,6-7H2;1H2;;1H
InChIKeyVEYFPUQRYRVFTG-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.02
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride?
The IUPAC name of 2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride (CID 174984181) is 2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride.
What is the SMILES notation for 2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride?
The canonical SMILES for 2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride is C=O.F.FB(F)F.c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride?
The InChIKey is VEYFPUQRYRVFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.CH2O.BF3.FH/c1-2-5-9-7-3-6-8(9)4-1;1-2;2-1(3)4;/h1-2,4-5H,3,6-7H2;1H2;;1H.
What are the key properties of 2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride?
2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride has a molecular weight of 236.02 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride is sourced from PubChem (CID 174984181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).