[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate

C17H14F3NO3 — CID 175253908

IUPAC[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESNC(=O)OC1CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)12-4-1-10(2-5-12)11-3-6-14-13(9-11)15(7-8-23-14)24-16(21)22/h1-6,9,15H,7-8H2,(H2,21,22)
InChIKeyHYZPJQUQWMYYEM-UHFFFAOYSA-N
MW337.30 g/mol
LogP4.29
Rot. Bonds2

About [6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate

[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate (PubChem CID 175253908) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is [6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate.

Molecular Properties

Compound Name[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate
PubChem CID175253908
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESNC(=O)OC1CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)12-4-1-10(2-5-12)11-3-6-14-13(9-11)15(7-8-23-14)24-16(21)22/h1-6,9,15H,7-8H2,(H2,21,22)
InChIKeyHYZPJQUQWMYYEM-UHFFFAOYSA-N
XLogP4.29
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175254109
[7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175252979
[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253063
[7-(3-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175252999
7-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-ol
CID 163771632
[7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-thiochromen-4-yl] carbamate
CID 175252925
[6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296578
[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate
CID 102427933
[7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253066
[2,2-dimethyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568841
[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568823
4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-5-ol
CID 123441148

Frequently Asked Questions

What is the IUPAC name of [6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate?
The IUPAC name of [6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate (CID 175253908) is [6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate.
What is the SMILES notation for [6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate?
The canonical SMILES for [6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate is NC(=O)OC1CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of [6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate?
The InChIKey is HYZPJQUQWMYYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c18-17(19,20)12-4-1-10(2-5-12)11-3-6-14-13(9-11)15(7-8-23-14)24-16(21)22/h1-6,9,15H,7-8H2,(H2,21,22).
What are the key properties of [6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate?
[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate has a molecular weight of 337.30 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate is sourced from PubChem (CID 175253908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).