5-(2,3-difluorophenoxy)pentan-2-ol

C11H14F2O2 — CID 63036089

IUPAC5-(2,3-difluorophenoxy)pentan-2-ol
SMILESCC(O)CCCOc1cccc(F)c1F
InChIInChI=1S/C11H14F2O2/c1-8(14)4-3-7-15-10-6-2-5-9(12)11(10)13/h2,5-6,8,14H,3-4,7H2,1H3
InChIKeySFYCXNACFHLWAG-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.50
Rot. Bonds5

About 5-(2,3-difluorophenoxy)pentan-2-ol

5-(2,3-difluorophenoxy)pentan-2-ol (PubChem CID 63036089) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-(2,3-difluorophenoxy)pentan-2-ol.

Molecular Properties

Compound Name5-(2,3-difluorophenoxy)pentan-2-ol
PubChem CID63036089
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name5-(2,3-difluorophenoxy)pentan-2-ol
SMILESCC(O)CCCOc1cccc(F)c1F
InChIInChI=1S/C11H14F2O2/c1-8(14)4-3-7-15-10-6-2-5-9(12)11(10)13/h2,5-6,8,14H,3-4,7H2,1H3
InChIKeySFYCXNACFHLWAG-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-fluoro-3-methylphenoxy)hexan-2-ol
CID 107660302
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
1,2-difluoro-3-(3-methoxybutoxy)benzene
CID 90941481
6-(2,6-difluorophenoxy)hexan-2-ol
CID 81269753
1-dodecoxy-2,3-difluorobenzene
CID 15854521
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
2-fluoro-6-(3-hydroxybutoxy)benzoic acid
CID 107014139
4-(2,3-difluorophenoxy)butoxyphosphane
CID 59036591
4-(2,6-difluorophenoxy)butan-2-ol
CID 81269023
1,2-difluoro-3-(2-methylsulfanylethoxy)benzene
CID 103907571
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenoxy)pentan-2-ol?
The IUPAC name of 5-(2,3-difluorophenoxy)pentan-2-ol (CID 63036089) is 5-(2,3-difluorophenoxy)pentan-2-ol.
What is the SMILES notation for 5-(2,3-difluorophenoxy)pentan-2-ol?
The canonical SMILES for 5-(2,3-difluorophenoxy)pentan-2-ol is CC(O)CCCOc1cccc(F)c1F.
What is the InChIKey of 5-(2,3-difluorophenoxy)pentan-2-ol?
The InChIKey is SFYCXNACFHLWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-8(14)4-3-7-15-10-6-2-5-9(12)11(10)13/h2,5-6,8,14H,3-4,7H2,1H3.
What are the key properties of 5-(2,3-difluorophenoxy)pentan-2-ol?
5-(2,3-difluorophenoxy)pentan-2-ol has a molecular weight of 216.23 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenoxy)pentan-2-ol is sourced from PubChem (CID 63036089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).