4-(2,6-difluorophenoxy)butan-2-ol

C10H12F2O2 — CID 81269023

IUPAC4-(2,6-difluorophenoxy)butan-2-ol
SMILESCC(O)CCOc1c(F)cccc1F
InChIInChI=1S/C10H12F2O2/c1-7(13)5-6-14-10-8(11)3-2-4-9(10)12/h2-4,7,13H,5-6H2,1H3
InChIKeyDRSYBYBIYMRTQY-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.11
Rot. Bonds4

About 4-(2,6-difluorophenoxy)butan-2-ol

4-(2,6-difluorophenoxy)butan-2-ol (PubChem CID 81269023) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 4-(2,6-difluorophenoxy)butan-2-ol.

Molecular Properties

Compound Name4-(2,6-difluorophenoxy)butan-2-ol
PubChem CID81269023
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name4-(2,6-difluorophenoxy)butan-2-ol
SMILESCC(O)CCOc1c(F)cccc1F
InChIInChI=1S/C10H12F2O2/c1-7(13)5-6-14-10-8(11)3-2-4-9(10)12/h2-4,7,13H,5-6H2,1H3
InChIKeyDRSYBYBIYMRTQY-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,6-difluorophenoxy)hexan-2-ol
CID 81269753
2-fluoro-6-(3-hydroxybutoxy)benzoic acid
CID 107014139
5-(2,3-difluorophenoxy)pentan-2-ol
CID 63036089
3-(2,6-difluorophenoxy)propan-1-ol
CID 112728266
[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
CID 112613210
1-(2,6-difluorophenoxy)-3-methylbutan-2-one
CID 81268709
4-(2,6-difluorophenoxy)-2-(propylamino)butanoic acid
CID 81269196
2-(5-bromo-3-methylpentoxy)-1-chloro-3-fluorobenzene
CID 83050874
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
6-(2,6-difluorophenoxy)hexan-1-amine
CID 68648906
3-(2,6-difluorophenoxy)butan-2-ol
CID 81269905

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenoxy)butan-2-ol?
The IUPAC name of 4-(2,6-difluorophenoxy)butan-2-ol (CID 81269023) is 4-(2,6-difluorophenoxy)butan-2-ol.
What is the SMILES notation for 4-(2,6-difluorophenoxy)butan-2-ol?
The canonical SMILES for 4-(2,6-difluorophenoxy)butan-2-ol is CC(O)CCOc1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenoxy)butan-2-ol?
The InChIKey is DRSYBYBIYMRTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-7(13)5-6-14-10-8(11)3-2-4-9(10)12/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 4-(2,6-difluorophenoxy)butan-2-ol?
4-(2,6-difluorophenoxy)butan-2-ol has a molecular weight of 202.20 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenoxy)butan-2-ol is sourced from PubChem (CID 81269023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).