3-(2,6-difluorophenoxy)propan-1-ol

C9H10F2O2 — CID 112728266

IUPAC3-(2,6-difluorophenoxy)propan-1-ol
SMILESOCCCOc1c(F)cccc1F
InChIInChI=1S/C9H10F2O2/c10-7-3-1-4-8(11)9(7)13-6-2-5-12/h1,3-4,12H,2,5-6H2
InChIKeyRQXBDZTYPNRHEH-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.73
Rot. Bonds4

About 3-(2,6-difluorophenoxy)propan-1-ol

3-(2,6-difluorophenoxy)propan-1-ol (PubChem CID 112728266) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 3-(2,6-difluorophenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(2,6-difluorophenoxy)propan-1-ol
PubChem CID112728266
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name3-(2,6-difluorophenoxy)propan-1-ol
SMILESOCCCOc1c(F)cccc1F
InChIInChI=1S/C9H10F2O2/c10-7-3-1-4-8(11)9(7)13-6-2-5-12/h1,3-4,12H,2,5-6H2
InChIKeyRQXBDZTYPNRHEH-UHFFFAOYSA-N
XLogP1.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.73
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

3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol
CID 112612921
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
6-(2,6-difluorophenoxy)hexan-1-amine
CID 68648906
2-(6-chlorohexoxy)-1,3-difluorobenzene
CID 81268506
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
6-(2,6-difluorophenoxy)hexanoic acid
CID 81269433
6-(2,6-difluorophenoxy)hexan-2-ol
CID 81269753
2-(2-butyl-6-fluorophenoxy)ethanol
CID 58241999
4-(2,6-difluorophenoxy)butan-2-ol
CID 81269023
1,3-difluoro-2-(fluoromethoxy)benzene
CID 140973526
4-(2,6-difluorophenoxy)butanehydrazide
CID 81268570
4-(2-fluorophenoxy)butan-1-ol
CID 43509993

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenoxy)propan-1-ol?
The IUPAC name of 3-(2,6-difluorophenoxy)propan-1-ol (CID 112728266) is 3-(2,6-difluorophenoxy)propan-1-ol.
What is the SMILES notation for 3-(2,6-difluorophenoxy)propan-1-ol?
The canonical SMILES for 3-(2,6-difluorophenoxy)propan-1-ol is OCCCOc1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenoxy)propan-1-ol?
The InChIKey is RQXBDZTYPNRHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c10-7-3-1-4-8(11)9(7)13-6-2-5-12/h1,3-4,12H,2,5-6H2.
What are the key properties of 3-(2,6-difluorophenoxy)propan-1-ol?
3-(2,6-difluorophenoxy)propan-1-ol has a molecular weight of 188.17 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenoxy)propan-1-ol is sourced from PubChem (CID 112728266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).