[2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate

C18H17F3N2O2 — CID 175296704

IUPAC[2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2cc(-c3ccnc(C(F)(F)F)c3)ccc2C1OC(N)=O
InChIInChI=1S/C18H17F3N2O2/c1-17(2)9-12-7-10(3-4-13(12)15(17)25-16(22)24)11-5-6-23-14(8-11)18(19,20)21/h3-8,15H,9H2,1-2H3,(H2,22,24)
InChIKeyHLTJDCFAAFTHSV-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.49
Rot. Bonds2

About [2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate

[2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296704) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is [2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296704
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name[2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2cc(-c3ccnc(C(F)(F)F)c3)ccc2C1OC(N)=O
InChIInChI=1S/C18H17F3N2O2/c1-17(2)9-12-7-10(3-4-13(12)15(17)25-16(22)24)11-5-6-23-14(8-11)18(19,20)21/h3-8,15H,9H2,1-2H3,(H2,22,24)
InChIKeyHLTJDCFAAFTHSV-UHFFFAOYSA-N
XLogP4.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate (CID 175296704) is [2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate is CC1(C)Cc2cc(-c3ccnc(C(F)(F)F)c3)ccc2C1OC(N)=O.
What is the InChIKey of [2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is HLTJDCFAAFTHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-17(2)9-12-7-10(3-4-13(12)15(17)25-16(22)24)11-5-6-23-14(8-11)18(19,20)21/h3-8,15H,9H2,1-2H3,(H2,22,24).
What are the key properties of [2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate?
[2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 350.34 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).