[6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate

C17H14F3NO3 — CID 175296578

IUPAC[6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate
SMILESNC(=O)OC1CCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)24-13-6-3-10(4-7-13)12-2-1-11-5-8-15(14(11)9-12)23-16(21)22/h1-4,6-7,9,15H,5,8H2,(H2,21,22)
InChIKeyQOIXWNRRLLYCDO-UHFFFAOYSA-N
MW337.30 g/mol
LogP4.33
Rot. Bonds3

About [6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate

[6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate (PubChem CID 175296578) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is [6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate.

Molecular Properties

Compound Name[6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate
PubChem CID175296578
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name[6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate
SMILESNC(=O)OC1CCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)24-13-6-3-10(4-7-13)12-2-1-11-5-8-15(14(11)9-12)23-16(21)22/h1-4,6-7,9,15H,5,8H2,(H2,21,22)
InChIKeyQOIXWNRRLLYCDO-UHFFFAOYSA-N
XLogP4.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-thiochromen-4-yl] carbamate
CID 175252968
[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568823
2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712080
[2,2-dimethyl-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydrochromen-4-yl] carbamate
CID 175253933
[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253908
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[7-[4-(trifluoromethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate
CID 156739989
[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568925
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175
2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide
CID 170794904
[7-[2-chloro-5-(trifluoromethoxy)phenyl]-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252967
2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 58840067
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide
CID 18006320

Frequently Asked Questions

What is the IUPAC name of [6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate?
The IUPAC name of [6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate (CID 175296578) is [6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate.
What is the SMILES notation for [6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate?
The canonical SMILES for [6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate is NC(=O)OC1CCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.
What is the InChIKey of [6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate?
The InChIKey is QOIXWNRRLLYCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c18-17(19,20)24-13-6-3-10(4-7-13)12-2-1-11-5-8-15(14(11)9-12)23-16(21)22/h1-4,6-7,9,15H,5,8H2,(H2,21,22).
What are the key properties of [6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate?
[6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate has a molecular weight of 337.30 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate is sourced from PubChem (CID 175296578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).