2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol

C14H20F2O3 — CID 138693605

IUPAC2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol
SMILESOCCOCCC(F)(F)CCOCc1ccccc1
InChIInChI=1S/C14H20F2O3/c15-14(16,6-9-18-11-8-17)7-10-19-12-13-4-2-1-3-5-13/h1-5,17H,6-12H2
InChIKeyNHRBAOVZNMJLJR-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.63
Rot. Bonds10

About 2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol

2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol (PubChem CID 138693605) has the molecular formula C14H20F2O3 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol.

Molecular Properties

Compound Name2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol
PubChem CID138693605
Molecular FormulaC14H20F2O3
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol
SMILESOCCOCCC(F)(F)CCOCc1ccccc1
InChIInChI=1S/C14H20F2O3/c15-14(16,6-9-18-11-8-17)7-10-19-12-13-4-2-1-3-5-13/h1-5,17H,6-12H2
InChIKeyNHRBAOVZNMJLJR-UHFFFAOYSA-N
XLogP2.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
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-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
ethyl 2-[2-(3,3-difluoro-5-phenylmethoxypentoxy)ethoxy]acetate
CID 138693919
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene
CID 174311801
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
2-(trifluoromethoxy)ethoxymethylbenzene
CID 154682514
2-[2-(phenylmethoxyamino)ethoxy]ethanol
CID 64974239
2-(hydroxymethyl)-2-(4-phenylmethoxybutoxymethyl)propane-1,3-diol
CID 131987442
(3-chloro-5,5,5-trifluoro-3-methylpentoxy)methylbenzene
CID 162621053
(1S)-1-deuterio-2-phenylmethoxyethanol
CID 136712283

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol?
The IUPAC name of 2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol (CID 138693605) is 2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol.
What is the SMILES notation for 2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol?
The canonical SMILES for 2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol is OCCOCCC(F)(F)CCOCc1ccccc1.
What is the InChIKey of 2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol?
The InChIKey is NHRBAOVZNMJLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O3/c15-14(16,6-9-18-11-8-17)7-10-19-12-13-4-2-1-3-5-13/h1-5,17H,6-12H2.
What are the key properties of 2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol?
2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol has a molecular weight of 274.31 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-5-phenylmethoxypentoxy)ethanol is sourced from PubChem (CID 138693605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).