2-(1-fluoroheptyl)oxirane

C9H17FO — CID 57127668

IUPAC2-(1-fluoroheptyl)oxirane
SMILESCCCCCCC(F)C1CO1
InChIInChI=1S/C9H17FO/c1-2-3-4-5-6-8(10)9-7-11-9/h8-9H,2-7H2,1H3
InChIKeyQUVOWGSKFOMSLR-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.69
Rot. Bonds6

About 2-(1-fluoroheptyl)oxirane

2-(1-fluoroheptyl)oxirane (PubChem CID 57127668) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 2-(1-fluoroheptyl)oxirane.

Molecular Properties

Compound Name2-(1-fluoroheptyl)oxirane
PubChem CID57127668
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name2-(1-fluoroheptyl)oxirane
SMILESCCCCCCC(F)C1CO1
InChIInChI=1S/C9H17FO/c1-2-3-4-5-6-8(10)9-7-11-9/h8-9H,2-7H2,1H3
InChIKeyQUVOWGSKFOMSLR-UHFFFAOYSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,2-Epoxyhexadecane
CID 23741
1,2-Epoxydecane
CID 16993
1,2-Epoxydodecane
CID 17858
1,2-Epoxytetradecane
CID 18604
1,2-Epoxyoctadecane
CID 23872
Cyclododecane, methoxy-
CID 76334
13-Oxabicyclo[10.1.0]tridecane
CID 9248
2-Hexyloxirane
CID 18126
1,2-Epoxypentadecane
CID 86768
Oxirane, 2-heptadecyl-
CID 105846
9,10-Epoxyoctadecane
CID 4621500
Oxirane, 2-pentadecyl-
CID 89596

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroheptyl)oxirane?
The IUPAC name of 2-(1-fluoroheptyl)oxirane (CID 57127668) is 2-(1-fluoroheptyl)oxirane.
What is the SMILES notation for 2-(1-fluoroheptyl)oxirane?
The canonical SMILES for 2-(1-fluoroheptyl)oxirane is CCCCCCC(F)C1CO1.
What is the InChIKey of 2-(1-fluoroheptyl)oxirane?
The InChIKey is QUVOWGSKFOMSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-2-3-4-5-6-8(10)9-7-11-9/h8-9H,2-7H2,1H3.
What are the key properties of 2-(1-fluoroheptyl)oxirane?
2-(1-fluoroheptyl)oxirane has a molecular weight of 160.23 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroheptyl)oxirane is sourced from PubChem (CID 57127668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).