2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid

C15H14F3NO4 — CID 150441026

IUPAC2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid
SMILESO=C(O)NCCOc1ccc2cc(OCC(F)(F)F)ccc2c1
InChIInChI=1S/C15H14F3NO4/c16-15(17,18)9-23-13-4-2-10-7-12(3-1-11(10)8-13)22-6-5-19-14(20)21/h1-4,7-8,19H,5-6,9H2,(H,20,21)
InChIKeyHLTUEQQOXWCYCS-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.43
Rot. Bonds6

About 2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid

2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid (PubChem CID 150441026) has the molecular formula C15H14F3NO4 and a molecular weight of 329.27 g/mol. Its IUPAC name is 2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid.

Molecular Properties

Compound Name2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid
PubChem CID150441026
Molecular FormulaC15H14F3NO4
Molecular Weight329.27 g/mol
Exact Mass329.09
IUPAC Name2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid
SMILESO=C(O)NCCOc1ccc2cc(OCC(F)(F)F)ccc2c1
InChIInChI=1S/C15H14F3NO4/c16-15(17,18)9-23-13-4-2-10-7-12(3-1-11(10)8-13)22-6-5-19-14(20)21/h1-4,7-8,19H,5-6,9H2,(H,20,21)
InChIKeyHLTUEQQOXWCYCS-UHFFFAOYSA-N
XLogP3.43
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
3-(3,4-dichlorophenoxy)propylcarbamic acid
CID 89477736
2-(4-acetylphenoxy)ethylcarbamic acid
CID 69331429
2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482
methyl 6-(2,2,2-trifluoroethoxy)quinoline-2-carboxylate
CID 102941448
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3782425
3-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]propanoic acid
CID 119177343
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
trifluoro-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]boranuide
CID 63677265
tert-butyl N-[2-[6,7-bis(hydroxymethyl)naphthalen-2-yl]oxyethyl]carbamate
CID 122667217
1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 78878567

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid?
The IUPAC name of 2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid (CID 150441026) is 2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid.
What is the SMILES notation for 2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid?
The canonical SMILES for 2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid is O=C(O)NCCOc1ccc2cc(OCC(F)(F)F)ccc2c1.
What is the InChIKey of 2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid?
The InChIKey is HLTUEQQOXWCYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4/c16-15(17,18)9-23-13-4-2-10-7-12(3-1-11(10)8-13)22-6-5-19-14(20)21/h1-4,7-8,19H,5-6,9H2,(H,20,21).
What are the key properties of 2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid?
2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid has a molecular weight of 329.27 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid is sourced from PubChem (CID 150441026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).