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

C9H10F2O2 — CID 63037951

IUPAC3-(2,3-difluorophenoxy)propan-1-ol
SMILESOCCCOc1cccc(F)c1F
InChIInChI=1S/C9H10F2O2/c10-7-3-1-4-8(9(7)11)13-6-2-5-12/h1,3-4,12H,2,5-6H2
InChIKeyDNCHNPSUDGFCBR-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.73
Rot. Bonds4

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

3-(2,3-difluorophenoxy)propan-1-ol (PubChem CID 63037951) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 3-(2,3-difluorophenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-difluorophenoxy)propan-1-ol
PubChem CID63037951
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name3-(2,3-difluorophenoxy)propan-1-ol
SMILESOCCCOc1cccc(F)c1F
InChIInChI=1S/C9H10F2O2/c10-7-3-1-4-8(9(7)11)13-6-2-5-12/h1,3-4,12H,2,5-6H2
InChIKeyDNCHNPSUDGFCBR-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

1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
4-(2,3-difluorophenoxy)butoxyphosphane
CID 59036591
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
1-dodecoxy-2,3-difluorobenzene
CID 15854521
3-(2,6-difluorophenoxy)propan-1-ol
CID 112728266
5-(2,3-difluorophenoxy)pentan-2-ol
CID 63036089
1,2-difluoro-3-pent-4-ynoxybenzene
CID 115871030
1,2-difluoro-3-(2-methylsulfanylethoxy)benzene
CID 103907571
4-(2,3-difluorophenoxy)butanehydrazide
CID 63568959
N-[3-(2,3-difluorophenoxy)propyl]aniline
CID 55143618
CID 175374084
CID 175374084

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenoxy)propan-1-ol?
The IUPAC name of 3-(2,3-difluorophenoxy)propan-1-ol (CID 63037951) is 3-(2,3-difluorophenoxy)propan-1-ol.
What is the SMILES notation for 3-(2,3-difluorophenoxy)propan-1-ol?
The canonical SMILES for 3-(2,3-difluorophenoxy)propan-1-ol is OCCCOc1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenoxy)propan-1-ol?
The InChIKey is DNCHNPSUDGFCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c10-7-3-1-4-8(9(7)11)13-6-2-5-12/h1,3-4,12H,2,5-6H2.
What are the key properties of 3-(2,3-difluorophenoxy)propan-1-ol?
3-(2,3-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-(2,3-difluorophenoxy)propan-1-ol is sourced from PubChem (CID 63037951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).