[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

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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).