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

C11H11F2NO3 — CID 166817328

IUPACmethyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
SMILESCOC(=O)NC1CCOc2c1ccc(F)c2F
InChIInChI=1S/C11H11F2NO3/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)
InChIKeyMKZTXSHCEGFWJW-UHFFFAOYSA-N
MW243.21 g/mol
LogP2.14
Rot. Bonds1

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

methyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate (PubChem CID 166817328) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is methyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
PubChem CID166817328
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Namemethyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
SMILESCOC(=O)NC1CCOc2c1ccc(F)c2F
InChIInChI=1S/C11H11F2NO3/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)
InChIKeyMKZTXSHCEGFWJW-UHFFFAOYSA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
The IUPAC name of methyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate (CID 166817328) is methyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate.
What is the SMILES notation for methyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
The canonical SMILES for methyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate is COC(=O)NC1CCOc2c1ccc(F)c2F.
What is the InChIKey of methyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
The InChIKey is MKZTXSHCEGFWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/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-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate?
methyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate has a molecular weight of 243.21 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate is sourced from PubChem (CID 166817328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).