4-(2,2,2-trifluoroethoxy)butoxybenzene

C12H15F3O2 — CID 23282430

IUPAC4-(2,2,2-trifluoroethoxy)butoxybenzene
SMILESFC(F)(F)COCCCCOc1ccccc1
InChIInChI=1S/C12H15F3O2/c13-12(14,15)10-16-8-4-5-9-17-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyZRNQJENPNLTWJV-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.42
Rot. Bonds7

About 4-(2,2,2-trifluoroethoxy)butoxybenzene

4-(2,2,2-trifluoroethoxy)butoxybenzene (PubChem CID 23282430) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)butoxybenzene.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)butoxybenzene
PubChem CID23282430
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name4-(2,2,2-trifluoroethoxy)butoxybenzene
SMILESFC(F)(F)COCCCCOc1ccccc1
InChIInChI=1S/C12H15F3O2/c13-12(14,15)10-16-8-4-5-9-17-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyZRNQJENPNLTWJV-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.42
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

4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-methyl-1-(2-phenoxyethyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111004904
1-tert-butyl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64765867
3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
2-methyl-1-(3-phenoxypropoxy)propan-2-amine
CID 64537390
1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64766053
CID 66992995
CID 66992995
2-pentoxyethoxybenzene
CID 54431229
2-(5-chloropentoxy)ethoxybenzene
CID 43348433
3-[3-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]prop-2-yn-1-amine
CID 61492088
2-(3-chloropropoxy)ethoxybenzene
CID 24689326

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)butoxybenzene?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)butoxybenzene (CID 23282430) is 4-(2,2,2-trifluoroethoxy)butoxybenzene.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)butoxybenzene?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)butoxybenzene is FC(F)(F)COCCCCOc1ccccc1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)butoxybenzene?
The InChIKey is ZRNQJENPNLTWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c13-12(14,15)10-16-8-4-5-9-17-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)butoxybenzene?
4-(2,2,2-trifluoroethoxy)butoxybenzene has a molecular weight of 248.24 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)butoxybenzene is sourced from PubChem (CID 23282430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).