2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate

C15H16FNO3 — CID 174985462

IUPAC2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate
SMILESCCOc1cc2ccccc2c(F)c1CCOC(N)=O
InChIInChI=1S/C15H16FNO3/c1-2-19-13-9-10-5-3-4-6-11(10)14(16)12(13)7-8-20-15(17)18/h3-6,9H,2,7-8H2,1H3,(H2,17,18)
InChIKeyPWRNVOWZOJBOMB-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.02
Rot. Bonds5

About 2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate

2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate (PubChem CID 174985462) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate
PubChem CID174985462
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate
SMILESCCOc1cc2ccccc2c(F)c1CCOC(N)=O
InChIInChI=1S/C15H16FNO3/c1-2-19-13-9-10-5-3-4-6-11(10)14(16)12(13)7-8-20-15(17)18/h3-6,9H,2,7-8H2,1H3,(H2,17,18)
InChIKeyPWRNVOWZOJBOMB-UHFFFAOYSA-N
XLogP3.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethoxy-1-fluoronaphthalen-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

Related Compounds

2-(1,3-difluoronaphthalen-2-yl)ethyl carbamate
CID 174985398
2-(3-ethoxy-1-methylnaphthalen-2-yl)ethylcarbamic acid
CID 135380918
4-ethoxynaphthalen-2-amine
CID 57115135
3-ethoxy-1-naphthalen-1-ylnaphthalen-2-ol
CID 151645059
anthracene;ethyl carbamate
CID 174381530
3-naphthalen-1-ylpropyl carbamate
CID 175301350
3-(2-ethoxynaphthalen-1-yl)propanoic acid
CID 9149906
1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one
CID 142273790
2-(2-ethoxyphenyl)ethyl propanoate
CID 174910782
4-ethoxynaphthalene-1-carboxamide;fluoromethane
CID 143061073
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate?
The IUPAC name of 2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate (CID 174985462) is 2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate.
What is the SMILES notation for 2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate?
The canonical SMILES for 2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate is CCOc1cc2ccccc2c(F)c1CCOC(N)=O.
What is the InChIKey of 2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate?
The InChIKey is PWRNVOWZOJBOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-2-19-13-9-10-5-3-4-6-11(10)14(16)12(13)7-8-20-15(17)18/h3-6,9H,2,7-8H2,1H3,(H2,17,18).
What are the key properties of 2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate?
2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate has a molecular weight of 277.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-1-fluoronaphthalen-2-yl)ethyl carbamate is sourced from PubChem (CID 174985462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).