2-[(2,6-difluorophenyl)methyl]oxirane

C9H8F2O — CID 115410452

IUPAC2-[(2,6-difluorophenyl)methyl]oxirane
SMILESFc1cccc(F)c1CC1CO1
InChIInChI=1S/C9H8F2O/c10-8-2-1-3-9(11)7(8)4-6-5-12-6/h1-3,6H,4-5H2
InChIKeyIJHWWBDGLRPXLL-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.91
Rot. Bonds2

About 2-[(2,6-difluorophenyl)methyl]oxirane

2-[(2,6-difluorophenyl)methyl]oxirane (PubChem CID 115410452) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]oxirane
PubChem CID115410452
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name2-[(2,6-difluorophenyl)methyl]oxirane
SMILESFc1cccc(F)c1CC1CO1
InChIInChI=1S/C9H8F2O/c10-8-2-1-3-9(11)7(8)4-6-5-12-6/h1-3,6H,4-5H2
InChIKeyIJHWWBDGLRPXLL-UHFFFAOYSA-N
XLogP1.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.91
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

2-[(2-chloro-6-fluorophenyl)methyl]oxirane
CID 87314733
5-[(2,6-difluorophenyl)methyl]-1,3-oxazolidine
CID 161163437
(2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane
CID 51347585
azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 87240097
2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine
CID 114935142
3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride
CID 54596092
2-[(2,3,4-trifluorophenyl)methyl]oxirane
CID 115410530
2-(anthracen-9-ylmethyl)oxirane
CID 54367420
2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane
CID 131145982
methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 174690186
2-(oxiran-2-ylmethyl)-3-phenylphenol
CID 174834260
2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]oxirane?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]oxirane (CID 115410452) is 2-[(2,6-difluorophenyl)methyl]oxirane.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]oxirane?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]oxirane is Fc1cccc(F)c1CC1CO1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]oxirane?
The InChIKey is IJHWWBDGLRPXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c10-8-2-1-3-9(11)7(8)4-6-5-12-6/h1-3,6H,4-5H2.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]oxirane?
2-[(2,6-difluorophenyl)methyl]oxirane has a molecular weight of 170.16 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]oxirane is sourced from PubChem (CID 115410452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).