2-fluoro-3-pentoxypropan-1-ol

C8H17FO2 — CID 14618592

IUPAC2-fluoro-3-pentoxypropan-1-ol
SMILESCCCCCOCC(F)CO
InChIInChI=1S/C8H17FO2/c1-2-3-4-5-11-7-8(9)6-10/h8,10H,2-7H2,1H3
InChIKeyPXYLFFOEDQVUKR-UHFFFAOYSA-N
MW164.22 g/mol
LogP1.52
Rot. Bonds7

About 2-fluoro-3-pentoxypropan-1-ol

2-fluoro-3-pentoxypropan-1-ol (PubChem CID 14618592) has the molecular formula C8H17FO2 and a molecular weight of 164.22 g/mol. Its IUPAC name is 2-fluoro-3-pentoxypropan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-pentoxypropan-1-ol
PubChem CID14618592
Molecular FormulaC8H17FO2
Molecular Weight164.22 g/mol
Exact Mass164.12
IUPAC Name2-fluoro-3-pentoxypropan-1-ol
SMILESCCCCCOCC(F)CO
InChIInChI=1S/C8H17FO2/c1-2-3-4-5-11-7-8(9)6-10/h8,10H,2-7H2,1H3
InChIKeyPXYLFFOEDQVUKR-UHFFFAOYSA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 51.52
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-(Hexyloxy)propan-1-ol
CID 15470557
(2R)-2-fluoro-3-hexoxypropan-1-ol
CID 134933857
1-(3-Hydroxypentoxy)pentan-3-ol
CID 57246494
3-(Pentyloxy)propan-1-ol
CID 14123542
2-Fluoro-3-hexoxypropan-1-ol
CID 14618593
(2R)-3-butoxy-2-fluoropropan-1-ol
CID 14984887
3-Butoxy-2-fluoropropan-1-ol
CID 14984888
3-Pentyloxybutanol
CID 19880018
4,4,4-Trifluoro-3-pentoxybutan-1-ol
CID 19905065
1,2,4-Trifluoro-3-hexoxybutan-1-ol
CID 19905073
6-(2-Fluoropropan-2-yloxy)hexan-1-ol
CID 88505862
4-(3,3-Difluoropentoxy)butan-1-ol
CID 89063747

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-pentoxypropan-1-ol?
The IUPAC name of 2-fluoro-3-pentoxypropan-1-ol (CID 14618592) is 2-fluoro-3-pentoxypropan-1-ol.
What is the SMILES notation for 2-fluoro-3-pentoxypropan-1-ol?
The canonical SMILES for 2-fluoro-3-pentoxypropan-1-ol is CCCCCOCC(F)CO.
What is the InChIKey of 2-fluoro-3-pentoxypropan-1-ol?
The InChIKey is PXYLFFOEDQVUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO2/c1-2-3-4-5-11-7-8(9)6-10/h8,10H,2-7H2,1H3.
What are the key properties of 2-fluoro-3-pentoxypropan-1-ol?
2-fluoro-3-pentoxypropan-1-ol has a molecular weight of 164.22 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-pentoxypropan-1-ol is sourced from PubChem (CID 14618592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).