[2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate

C19H18F3NO2 — CID 175296577

IUPAC[2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2ccc(-c3ccccc3C(F)(F)F)cc2C1OC(N)=O
InChIInChI=1S/C19H18F3NO2/c1-18(2)10-12-8-7-11(9-14(12)16(18)25-17(23)24)13-5-3-4-6-15(13)19(20,21)22/h3-9,16H,10H2,1-2H3,(H2,23,24)
InChIKeyDKLNSXFYXQHADC-UHFFFAOYSA-N
MW349.35 g/mol
LogP5.09
Rot. Bonds2

About [2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate

[2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296577) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is [2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296577
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name[2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2ccc(-c3ccccc3C(F)(F)F)cc2C1OC(N)=O
InChIInChI=1S/C19H18F3NO2/c1-18(2)10-12-8-7-11(9-14(12)16(18)25-17(23)24)13-5-3-4-6-15(13)19(20,21)22/h3-9,16H,10H2,1-2H3,(H2,23,24)
InChIKeyDKLNSXFYXQHADC-UHFFFAOYSA-N
XLogP5.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.35
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate (CID 175296577) is [2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate is CC1(C)Cc2ccc(-c3ccccc3C(F)(F)F)cc2C1OC(N)=O.
What is the InChIKey of [2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is DKLNSXFYXQHADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-18(2)10-12-8-7-11(9-14(12)16(18)25-17(23)24)13-5-3-4-6-15(13)19(20,21)22/h3-9,16H,10H2,1-2H3,(H2,23,24).
What are the key properties of [2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate?
[2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 349.35 g/mol, XLogP of 5.09, 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-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).