2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene

C15H14F3N3O — CID 164684524

IUPAC2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene
SMILESCC(N=[N+]=[N-])OC(CC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C15H14F3N3O/c1-10(20-21-19)22-14(9-15(16,17)18)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14H,9H2,1H3
InChIKeyPFWAZKPEZRXSNS-UHFFFAOYSA-N
MW309.29 g/mol
LogP5.51
Rot. Bonds5

About 2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene

2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene (PubChem CID 164684524) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene.

Molecular Properties

Compound Name2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene
PubChem CID164684524
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene
SMILESCC(N=[N+]=[N-])OC(CC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C15H14F3N3O/c1-10(20-21-19)22-14(9-15(16,17)18)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14H,9H2,1H3
InChIKeyPFWAZKPEZRXSNS-UHFFFAOYSA-N
XLogP5.51
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.29
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-2-(2-naphthyl)acetonitrile
CID 10104166
2-Ethoxy-2-(2-naphthyl)acetonitrile
CID 10262571
2-(2-Naphthyl)-2-(pentyloxy)acetonitrile
CID 10400018
2-(3,3-Difluoro-1-methoxypropyl)naphthalene
CID 132514348
2-(Trifluoromethoxymethyl)naphthalene
CID 23627160
1-[2-Azido-1-(trifluoromethoxy)ethyl]-4-phenylbenzene
CID 141518617
2-Naphthyl diethyl ether
CID 11333131
9-(2,2,2-Trifluoro-1-methoxyethyl)anthracene
CID 613508
10-Methyl-9-(1-methoxy-2,2,2-trifluor-ethyl) anthracene
CID 85416858
2-(Methoxy(4-(trifluoromethyl)phenyl)methyl)naphthalene
CID 124081654
2-[1-(1,1-Difluoroprop-2-enoxy)ethenyl]naphthalene
CID 162419730
(2R,3R)-2-naphthalen-1-yl-3-(2,2,2-trifluoroethyl)oxirane
CID 164667032

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene?
The IUPAC name of 2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene (CID 164684524) is 2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene.
What is the SMILES notation for 2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene?
The canonical SMILES for 2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene is CC(N=[N+]=[N-])OC(CC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene?
The InChIKey is PFWAZKPEZRXSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-10(20-21-19)22-14(9-15(16,17)18)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14H,9H2,1H3.
What are the key properties of 2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene?
2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene has a molecular weight of 309.29 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-azidoethoxy)-3,3,3-trifluoropropyl]naphthalene is sourced from PubChem (CID 164684524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).