2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane

C11H19F3O — CID 18998992

IUPAC2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane
SMILESCCCCCC1OC1C(CF)(CF)CF
InChIInChI=1S/C11H19F3O/c1-2-3-4-5-9-10(15-9)11(6-12,7-13)8-14/h9-10H,2-8H2,1H3
InChIKeyWUPPCDKORSTWKE-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.23
Rot. Bonds8

About 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane

2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane (PubChem CID 18998992) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane.

Molecular Properties

Compound Name2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane
PubChem CID18998992
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane
SMILESCCCCCC1OC1C(CF)(CF)CF
InChIInChI=1S/C11H19F3O/c1-2-3-4-5-9-10(15-9)11(6-12,7-13)8-14/h9-10H,2-8H2,1H3
InChIKeyWUPPCDKORSTWKE-UHFFFAOYSA-N
XLogP3.23
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.23
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

(3R)-3-decyl-2,2-dimethyloxirane
CID 54190941
2-(5-Methylhexyl)-3-propyloxirane
CID 54246942
2-(2,2,3,3,4,4,5,6,6,6-Decafluoro-5-methylhexyl)oxirane
CID 18702670
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-Octadecafluoro-9-methyldecyl)oxirane
CID 18702684
2-(2,2,3,3,4,4,5,5,6,7,7,7-Dodecafluoro-6-methylheptyl)oxirane
CID 18702688
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-methylnonyl)oxirane
CID 18702694
2-(2,2,3,3,4,4,5,5,6,6,7,8,8,8-Tetradecafluoro-7-methyloctyl)oxirane
CID 18702705
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Docosafluoro-11-methyldodecyl)oxirane
CID 18702710
2-[1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-Hexadecafluoro-7-(trifluoromethyl)octyl]-3-methyloxirane
CID 18935091
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Icosafluoro-10-methylundecyl)oxirane
CID 23498288
1-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275558
7,7-Difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane
CID 58275561

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane?
The IUPAC name of 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane (CID 18998992) is 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane.
What is the SMILES notation for 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane?
The canonical SMILES for 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane is CCCCCC1OC1C(CF)(CF)CF.
What is the InChIKey of 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane?
The InChIKey is WUPPCDKORSTWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-2-3-4-5-9-10(15-9)11(6-12,7-13)8-14/h9-10H,2-8H2,1H3.
What are the key properties of 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane?
2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane has a molecular weight of 224.27 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane is sourced from PubChem (CID 18998992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).