[2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate

C18H16F3NO2 — CID 175296618

IUPAC[2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2ccc(-c3ccc(F)c(F)c3F)cc2C1OC(N)=O
InChIInChI=1S/C18H16F3NO2/c1-18(2)8-10-4-3-9(7-12(10)16(18)24-17(22)23)11-5-6-13(19)15(21)14(11)20/h3-7,16H,8H2,1-2H3,(H2,22,23)
InChIKeyDXMZSWQCEUBZEE-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.49
Rot. Bonds2

About [2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate

[2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296618) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is [2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296618
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name[2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2ccc(-c3ccc(F)c(F)c3F)cc2C1OC(N)=O
InChIInChI=1S/C18H16F3NO2/c1-18(2)8-10-4-3-9(7-12(10)16(18)24-17(22)23)11-5-6-13(19)15(21)14(11)20/h3-7,16H,8H2,1-2H3,(H2,22,23)
InChIKeyDXMZSWQCEUBZEE-UHFFFAOYSA-N
XLogP4.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate (CID 175296618) is [2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate is CC1(C)Cc2ccc(-c3ccc(F)c(F)c3F)cc2C1OC(N)=O.
What is the InChIKey of [2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is DXMZSWQCEUBZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-18(2)8-10-4-3-9(7-12(10)16(18)24-17(22)23)11-5-6-13(19)15(21)14(11)20/h3-7,16H,8H2,1-2H3,(H2,22,23).
What are the key properties of [2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate?
[2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 335.33 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).