[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate

C16H14FNO3 — CID 175253063

IUPAC[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESNC(=O)OC1CCOc2cc(-c3cccc(F)c3)ccc21
InChIInChI=1S/C16H14FNO3/c17-12-3-1-2-10(8-12)11-4-5-13-14(21-16(18)19)6-7-20-15(13)9-11/h1-5,8-9,14H,6-7H2,(H2,18,19)
InChIKeyWTIPLFHNBKWVDH-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.41
Rot. Bonds2

About [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate

[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate (PubChem CID 175253063) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
PubChem CID175253063
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESNC(=O)OC1CCOc2cc(-c3cccc(F)c3)ccc21
InChIInChI=1S/C16H14FNO3/c17-12-3-1-2-10(8-12)11-4-5-13-14(21-16(18)19)6-7-20-15(13)9-11/h1-5,8-9,14H,6-7H2,(H2,18,19)
InChIKeyWTIPLFHNBKWVDH-UHFFFAOYSA-N
XLogP3.41
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[7-(3-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175252999
[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-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253937
[7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253066
[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253908
[5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296693
[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296738
methyl 3-[2-[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethylideneamino]pyridine-4-carboxylate
CID 123653157
[3,3-dimethyl-7-(3-phenylphenyl)-2,4-dihydrochromen-4-yl] carbamate
CID 175254067
[2,2-dimethyl-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydrochromen-4-yl] carbamate
CID 175253933
[6-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568957

Frequently Asked Questions

What is the IUPAC name of [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
The IUPAC name of [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate (CID 175253063) is [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate.
What is the SMILES notation for [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
The canonical SMILES for [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate is NC(=O)OC1CCOc2cc(-c3cccc(F)c3)ccc21.
What is the InChIKey of [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
The InChIKey is WTIPLFHNBKWVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-12-3-1-2-10(8-12)11-4-5-13-14(21-16(18)19)6-7-20-15(13)9-11/h1-5,8-9,14H,6-7H2,(H2,18,19).
What are the key properties of [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate has a molecular weight of 287.29 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate is sourced from PubChem (CID 175253063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).