2-(3-fluorohexyl)-3-methyloxirane

C9H17FO — CID 152684716

IUPAC2-(3-fluorohexyl)-3-methyloxirane
SMILESCCCC(F)CCC1OC1C
InChIInChI=1S/C9H17FO/c1-3-4-8(10)5-6-9-7(2)11-9/h7-9H,3-6H2,1-2H3
InChIKeyZOHLBQZFGOOCQN-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.69
Rot. Bonds5

About 2-(3-fluorohexyl)-3-methyloxirane

2-(3-fluorohexyl)-3-methyloxirane (PubChem CID 152684716) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 2-(3-fluorohexyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(3-fluorohexyl)-3-methyloxirane
PubChem CID152684716
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name2-(3-fluorohexyl)-3-methyloxirane
SMILESCCCC(F)CCC1OC1C
InChIInChI=1S/C9H17FO/c1-3-4-8(10)5-6-9-7(2)11-9/h7-9H,3-6H2,1-2H3
InChIKeyZOHLBQZFGOOCQN-UHFFFAOYSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-methyl-3-propyloxirane
CID 22844896
2-(3-methoxybutyl)-3-methyloxirane
CID 88560295
(3S)-2-hexyl-3-methyloxirane
CID 22212703
(3S)-2-heptyl-3-methyloxirane
CID 22212077
(2S,3R)-2-methyl-3-nonyloxirane
CID 71399054
2-(5-ethylicosyl)-3-methyloxirane
CID 123198563
2-methyl-4-(3-methyloxiran-2-yl)butanal
CID 89097955
4-fluorononane
CID 15062450
3-fluorohexane;fluoromethane
CID 171506304
(2R,3S)-2-(2-chloroethyl)-3-methyloxirane
CID 55302977
1-ethyl-2-(3-fluorohexyl)cyclobutan-1-amine
CID 146286821
5-fluorononane
CID 14113820

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorohexyl)-3-methyloxirane?
The IUPAC name of 2-(3-fluorohexyl)-3-methyloxirane (CID 152684716) is 2-(3-fluorohexyl)-3-methyloxirane.
What is the SMILES notation for 2-(3-fluorohexyl)-3-methyloxirane?
The canonical SMILES for 2-(3-fluorohexyl)-3-methyloxirane is CCCC(F)CCC1OC1C.
What is the InChIKey of 2-(3-fluorohexyl)-3-methyloxirane?
The InChIKey is ZOHLBQZFGOOCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-3-4-8(10)5-6-9-7(2)11-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(3-fluorohexyl)-3-methyloxirane?
2-(3-fluorohexyl)-3-methyloxirane has a molecular weight of 160.23 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorohexyl)-3-methyloxirane is sourced from PubChem (CID 152684716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).