ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate

C13H11ClFNO2 — CID 68805719

IUPACethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate
SMILESCCOC(=O)Nc1c(Cl)cc2ccccc2c1F
InChIInChI=1S/C13H11ClFNO2/c1-2-18-13(17)16-12-10(14)7-8-5-3-4-6-9(8)11(12)15/h3-7H,2H2,1H3,(H,16,17)
InChIKeyIEQJPWMXWDGNRA-UHFFFAOYSA-N
MW267.69 g/mol
LogP4.20
Rot. Bonds2

About ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate

ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate (PubChem CID 68805719) has the molecular formula C13H11ClFNO2 and a molecular weight of 267.69 g/mol. Its IUPAC name is ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate
PubChem CID68805719
Molecular FormulaC13H11ClFNO2
Molecular Weight267.69 g/mol
Exact Mass267.05
IUPAC Nameethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate
SMILESCCOC(=O)Nc1c(Cl)cc2ccccc2c1F
InChIInChI=1S/C13H11ClFNO2/c1-2-18-13(17)16-12-10(14)7-8-5-3-4-6-9(8)11(12)15/h3-7H,2H2,1H3,(H,16,17)
InChIKeyIEQJPWMXWDGNRA-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate?
The IUPAC name of ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate (CID 68805719) is ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate.
What is the SMILES notation for ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate?
The canonical SMILES for ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate is CCOC(=O)Nc1c(Cl)cc2ccccc2c1F.
What is the InChIKey of ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate?
The InChIKey is IEQJPWMXWDGNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2/c1-2-18-13(17)16-12-10(14)7-8-5-3-4-6-9(8)11(12)15/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate?
ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate has a molecular weight of 267.69 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate is sourced from PubChem (CID 68805719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).