5-ethoxy-2-fluoropentan-1-ol

C7H15FO2 — CID 139609460

IUPAC5-ethoxy-2-fluoropentan-1-ol
SMILESCCOCCCC(F)CO
InChIInChI=1S/C7H15FO2/c1-2-10-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3
InChIKeyCANHUODZGLGXOA-UHFFFAOYSA-N
MW150.19 g/mol
LogP1.13
Rot. Bonds6

About 5-ethoxy-2-fluoropentan-1-ol

5-ethoxy-2-fluoropentan-1-ol (PubChem CID 139609460) has the molecular formula C7H15FO2 and a molecular weight of 150.19 g/mol. Its IUPAC name is 5-ethoxy-2-fluoropentan-1-ol.

Molecular Properties

Compound Name5-ethoxy-2-fluoropentan-1-ol
PubChem CID139609460
Molecular FormulaC7H15FO2
Molecular Weight150.19 g/mol
Exact Mass150.11
IUPAC Name5-ethoxy-2-fluoropentan-1-ol
SMILESCCOCCCC(F)CO
InChIInChI=1S/C7H15FO2/c1-2-10-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3
InChIKeyCANHUODZGLGXOA-UHFFFAOYSA-N
XLogP1.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 51.13
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

5-Methoxypentan-1-ol
CID 20931
5-Ethoxy-1-pentanol
CID 13027930
5-Butoxypentan-1-ol
CID 12706165
2,2-Difluoro-5-methoxypentan-1-ol
CID 14097599
2,2,3,3,4,4-Hexafluoro-5-methoxypentan-1-ol
CID 15789468
2,2,3,3,4,4-Hexafluoro-5-ethoxypentanol
CID 20082754
5-Butoxy-2,2,3,3,4,4-hexafluoropentanol
CID 21832552
5-(Trifluoromethoxy)pentan-1-ol
CID 46222186
5-(3,3,3-Trifluoropropoxy)pentan-1-ol
CID 59366540
3-Fluoropentane-1,5-diol
CID 87530294
1-Fluoropentane-1,5-diol
CID 87793536
5-Butoxy-2-fluoropentan-1-ol
CID 139609434

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-fluoropentan-1-ol?
The IUPAC name of 5-ethoxy-2-fluoropentan-1-ol (CID 139609460) is 5-ethoxy-2-fluoropentan-1-ol.
What is the SMILES notation for 5-ethoxy-2-fluoropentan-1-ol?
The canonical SMILES for 5-ethoxy-2-fluoropentan-1-ol is CCOCCCC(F)CO.
What is the InChIKey of 5-ethoxy-2-fluoropentan-1-ol?
The InChIKey is CANHUODZGLGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2/c1-2-10-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3.
What are the key properties of 5-ethoxy-2-fluoropentan-1-ol?
5-ethoxy-2-fluoropentan-1-ol has a molecular weight of 150.19 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-fluoropentan-1-ol is sourced from PubChem (CID 139609460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).