1-(1,2,2-trifluoroethenoxy)octane

C10H17F3O — CID 139891214

IUPAC1-(1,2,2-trifluoroethenoxy)octane
SMILESCCCCCCCCOC(F)=C(F)F
InChIInChI=1S/C10H17F3O/c1-2-3-4-5-6-7-8-14-10(13)9(11)12/h2-8H2,1H3
InChIKeyDMKSGSNFJFCXNE-UHFFFAOYSA-N
MW210.24 g/mol
LogP4.40
Rot. Bonds8

About 1-(1,2,2-trifluoroethenoxy)octane

1-(1,2,2-trifluoroethenoxy)octane (PubChem CID 139891214) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethenoxy)octane.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethenoxy)octane
PubChem CID139891214
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name1-(1,2,2-trifluoroethenoxy)octane
SMILESCCCCCCCCOC(F)=C(F)F
InChIInChI=1S/C10H17F3O/c1-2-3-4-5-6-7-8-14-10(13)9(11)12/h2-8H2,1H3
InChIKeyDMKSGSNFJFCXNE-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ether, octyl 1,1,2,2-tetrafluoroethyl
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1-[(E)-2-fluoroethenoxy]dodecane
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1,1-Difluoro-2-dodecyloxyethene
CID 121408638
1,1-Difluoro-1-methoxyoctane
CID 11332828
1-Fluoro-9-methoxynonane
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1-(2,2,2-Trifluoroethoxy)docosane
CID 86009221
1-(Trifluoromethoxy)dodecane
CID 101034469
1-[Chloro(difluoro)methoxy]octane
CID 101034472
8,8,8-Trifluorooctylhexaoxyethylene
CID 129664688
1-(2,3-Difluoropropoxy)dodecane
CID 155931605

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethenoxy)octane?
The IUPAC name of 1-(1,2,2-trifluoroethenoxy)octane (CID 139891214) is 1-(1,2,2-trifluoroethenoxy)octane.
What is the SMILES notation for 1-(1,2,2-trifluoroethenoxy)octane?
The canonical SMILES for 1-(1,2,2-trifluoroethenoxy)octane is CCCCCCCCOC(F)=C(F)F.
What is the InChIKey of 1-(1,2,2-trifluoroethenoxy)octane?
The InChIKey is DMKSGSNFJFCXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-2-3-4-5-6-7-8-14-10(13)9(11)12/h2-8H2,1H3.
What are the key properties of 1-(1,2,2-trifluoroethenoxy)octane?
1-(1,2,2-trifluoroethenoxy)octane has a molecular weight of 210.24 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethenoxy)octane is sourced from PubChem (CID 139891214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).