1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene

C15H15F3O2 — CID 64764413

IUPAC1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene
SMILESFC(F)(F)COCCCOc1cccc2ccccc12
InChIInChI=1S/C15H15F3O2/c16-15(17,18)11-19-9-4-10-20-14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8H,4,9-11H2
InChIKeyYAVPHKCWFUZLGU-UHFFFAOYSA-N
MW284.28 g/mol
LogP4.19
Rot. Bonds6

About 1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene

1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene (PubChem CID 64764413) has the molecular formula C15H15F3O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene
PubChem CID64764413
Molecular FormulaC15H15F3O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene
SMILESFC(F)(F)COCCCOc1cccc2ccccc12
InChIInChI=1S/C15H15F3O2/c16-15(17,18)11-19-9-4-10-20-14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8H,4,9-11H2
InChIKeyYAVPHKCWFUZLGU-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-naphthalen-1-yloxypropoxy)ethanamine
CID 82353335
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]acetic acid
CID 80740396
1-(3-chloropropoxy)naphthalene
CID 12685615
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 61491136
1-butoxynaphthalene
CID 13262700
(1S)-1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 78932925
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 61491479
3-ethoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]benzaldehyde
CID 61491424
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430
2-methyl-3-[3-(2,2,2-trifluoroethoxy)propoxy]benzoic acid
CID 82827120
2-fluoro-6-[3-(2,2,2-trifluoroethoxy)propoxy]benzenecarbothioamide
CID 61490971

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene (CID 64764413) is 1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene is FC(F)(F)COCCCOc1cccc2ccccc12.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene?
The InChIKey is YAVPHKCWFUZLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O2/c16-15(17,18)11-19-9-4-10-20-14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8H,4,9-11H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene?
1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene has a molecular weight of 284.28 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene is sourced from PubChem (CID 64764413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).