2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate

C13H11F2NO2 — CID 174985398

IUPAC2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate
SMILESNC(=O)OCCc1c(F)cc2ccccc2c1F
InChIInChI=1S/C13H11F2NO2/c14-11-7-8-3-1-2-4-9(8)12(15)10(11)5-6-18-13(16)17/h1-4,7H,5-6H2,(H2,16,17)
InChIKeyVCBJCCSIWRMJIO-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.76
Rot. Bonds3

About 2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate

2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate (PubChem CID 174985398) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate
PubChem CID174985398
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate
SMILESNC(=O)OCCc1c(F)cc2ccccc2c1F
InChIInChI=1S/C13H11F2NO2/c14-11-7-8-3-1-2-4-9(8)12(15)10(11)5-6-18-13(16)17/h1-4,7H,5-6H2,(H2,16,17)
InChIKeyVCBJCCSIWRMJIO-UHFFFAOYSA-N
XLogP2.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate?
The IUPAC name of 2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate (CID 174985398) is 2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate.
What is the SMILES notation for 2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate?
The canonical SMILES for 2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate is NC(=O)OCCc1c(F)cc2ccccc2c1F.
What is the InChIKey of 2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate?
The InChIKey is VCBJCCSIWRMJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c14-11-7-8-3-1-2-4-9(8)12(15)10(11)5-6-18-13(16)17/h1-4,7H,5-6H2,(H2,16,17).
What are the key properties of 2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate?
2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate has a molecular weight of 251.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate is sourced from PubChem (CID 174985398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).