2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol

C10H8F6O2 — CID 61081494

IUPAC2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(F)(F)C(F)(F)F)c(F)c1
InChIInChI=1S/C10H8F6O2/c1-18-5-2-3-6(7(11)4-5)8(17)9(12,13)10(14,15)16/h2-4,8,17H,1H3
InChIKeyQDDHSJLAWJNMPB-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.07
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol

2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol (PubChem CID 61081494) has the molecular formula C10H8F6O2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
PubChem CID61081494
Molecular FormulaC10H8F6O2
Molecular Weight274.16 g/mol
Exact Mass274.04
IUPAC Name2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(F)(F)C(F)(F)F)c(F)c1
InChIInChI=1S/C10H8F6O2/c1-18-5-2-3-6(7(11)4-5)8(17)9(12,13)10(14,15)16/h2-4,8,17H,1H3
InChIKeyQDDHSJLAWJNMPB-UHFFFAOYSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61086809
2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561288
2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetaldehyde
CID 103395038
1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817736
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61080731
1-(1-chloro-2,2-dimethylpropyl)-2-fluoro-4-methoxybenzene
CID 61084063
(3,5-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61083265
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103778620
1-(1-chloro-3,3,3-trifluoropropyl)-2-fluoro-4-methoxybenzene
CID 61083870

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol (CID 61081494) is 2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol is COc1ccc(C(O)C(F)(F)C(F)(F)F)c(F)c1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol?
The InChIKey is QDDHSJLAWJNMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O2/c1-18-5-2-3-6(7(11)4-5)8(17)9(12,13)10(14,15)16/h2-4,8,17H,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol?
2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol has a molecular weight of 274.16 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 61081494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).