benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate

C17H16FNO3 — CID 110751299

IUPACbenzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
SMILESO=C(NC1CCOc2ccc(F)cc21)OCc1ccccc1
InChIInChI=1S/C17H16FNO3/c18-13-6-7-16-14(10-13)15(8-9-21-16)19-17(20)22-11-12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2,(H,19,20)
InChIKeyCQBNESIUGZFQJO-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.58
Rot. Bonds3

About benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate

benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate (PubChem CID 110751299) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
PubChem CID110751299
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Namebenzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
SMILESO=C(NC1CCOc2ccc(F)cc21)OCc1ccccc1
InChIInChI=1S/C17H16FNO3/c18-13-6-7-16-14(10-13)15(8-9-21-16)19-17(20)22-11-12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2,(H,19,20)
InChIKeyCQBNESIUGZFQJO-UHFFFAOYSA-N
XLogP3.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
CID 110750884
benzyl N-[(3R)-5-(bromomethyl)-2,3-dihydro-1-benzofuran-3-yl]carbamate
CID 177035245
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
CID 110751256
benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate
CID 165409866
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
benzyl N-(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate
CID 172615311
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate
CID 60655546
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide
CID 110751350
benzyl N-[(1R,2S)-1-(2,5-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 118298662
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 144863293
2-amino-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-hydroxypropanamide
CID 110480639

Frequently Asked Questions

What is the IUPAC name of benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
The IUPAC name of benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate (CID 110751299) is benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate.
What is the SMILES notation for benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
The canonical SMILES for benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate is O=C(NC1CCOc2ccc(F)cc21)OCc1ccccc1.
What is the InChIKey of benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
The InChIKey is CQBNESIUGZFQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c18-13-6-7-16-14(10-13)15(8-9-21-16)19-17(20)22-11-12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2,(H,19,20).
What are the key properties of benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate has a molecular weight of 301.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate is sourced from PubChem (CID 110751299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).