methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate

C11H11BrFNO3 — CID 166817406

IUPACmethyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
SMILESCOC(=O)NC1CCOc2c1ccc(Br)c2F
InChIInChI=1S/C11H11BrFNO3/c1-16-11(15)14-8-4-5-17-10-6(8)2-3-7(12)9(10)13/h2-3,8H,4-5H2,1H3,(H,14,15)
InChIKeyDKRNHHVUXXDTNE-UHFFFAOYSA-N
MW304.12 g/mol
LogP2.77
Rot. Bonds1

About methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate

methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate (PubChem CID 166817406) has the molecular formula C11H11BrFNO3 and a molecular weight of 304.12 g/mol. Its IUPAC name is methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
PubChem CID166817406
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Namemethyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
SMILESCOC(=O)NC1CCOc2c1ccc(Br)c2F
InChIInChI=1S/C11H11BrFNO3/c1-16-11(15)14-8-4-5-17-10-6(8)2-3-7(12)9(10)13/h2-3,8H,4-5H2,1H3,(H,14,15)
InChIKeyDKRNHHVUXXDTNE-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamate
CID 11161472
ethyl N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamate
CID 11163246
6-bromo-N-methyl-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
CID 75481757
Tert-butyl (4-bromo-2-methoxybenzyl)carbamate
CID 121272741
tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 134966311
N-[(1S)-1-[4-bromo-2-(3-hydroxypropoxy)phenyl]ethyl]-2-methylpropanamide
CID 124294362
6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43512619
tert-butyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 54371392
(7-Fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamic acid
CID 67362221
tert-butyl N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamate
CID 67362563
tert-butyl N-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate
CID 67362567
Tert-butyl 4-bromo-2-(trifluoromethoxy)benzylcarbamate
CID 68754854

Frequently Asked Questions

What is the IUPAC name of methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
The IUPAC name of methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate (CID 166817406) is methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate.
What is the SMILES notation for methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
The canonical SMILES for methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate is COC(=O)NC1CCOc2c1ccc(Br)c2F.
What is the InChIKey of methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
The InChIKey is DKRNHHVUXXDTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3/c1-16-11(15)14-8-4-5-17-10-6(8)2-3-7(12)9(10)13/h2-3,8H,4-5H2,1H3,(H,14,15).
What are the key properties of methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate has a molecular weight of 304.12 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate is sourced from PubChem (CID 166817406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).