[2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate

C19H18F3NO3 — CID 175296610

IUPAC[2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2cc(-c3ccccc3OC(F)(F)F)ccc2C1OC(N)=O
InChIInChI=1S/C19H18F3NO3/c1-18(2)10-12-9-11(7-8-14(12)16(18)25-17(23)24)13-5-3-4-6-15(13)26-19(20,21)22/h3-9,16H,10H2,1-2H3,(H2,23,24)
InChIKeyVVEACGWGJPONSM-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.97
Rot. Bonds3

About [2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate

[2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296610) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is [2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296610
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name[2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2cc(-c3ccccc3OC(F)(F)F)ccc2C1OC(N)=O
InChIInChI=1S/C19H18F3NO3/c1-18(2)10-12-9-11(7-8-14(12)16(18)25-17(23)24)13-5-3-4-6-15(13)26-19(20,21)22/h3-9,16H,10H2,1-2H3,(H2,23,24)
InChIKeyVVEACGWGJPONSM-UHFFFAOYSA-N
XLogP4.97
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296893
[5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296886
[(1R)-5-(4-tert-butylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175497922
[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296717
[6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568714
[5-(2-butoxy-5-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296936
[2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568841
(2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate
CID 175296735
[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296612
[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296738
[(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175498011
[5-(4-tert-butylphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296888

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate (CID 175296610) is [2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate is CC1(C)Cc2cc(-c3ccccc3OC(F)(F)F)ccc2C1OC(N)=O.
What is the InChIKey of [2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is VVEACGWGJPONSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-18(2)10-12-9-11(7-8-14(12)16(18)25-17(23)24)13-5-3-4-6-15(13)26-19(20,21)22/h3-9,16H,10H2,1-2H3,(H2,23,24).
What are the key properties of [2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate?
[2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 365.35 g/mol, XLogP of 4.97, 3 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-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).