3-ethenoxy-1,1,2,2,5,5-hexafluoropentane

C7H8F6O — CID 54352074

IUPAC3-ethenoxy-1,1,2,2,5,5-hexafluoropentane
SMILESC=COC(CC(F)F)C(F)(F)C(F)F
InChIInChI=1S/C7H8F6O/c1-2-14-4(3-5(8)9)7(12,13)6(10)11/h2,4-6H,1,3H2
InChIKeyUGLXVSVYHFQPQN-UHFFFAOYSA-N
MW222.13 g/mol
LogP3.07
Rot. Bonds6

About 3-ethenoxy-1,1,2,2,5,5-hexafluoropentane

3-ethenoxy-1,1,2,2,5,5-hexafluoropentane (PubChem CID 54352074) has the molecular formula C7H8F6O and a molecular weight of 222.13 g/mol. Its IUPAC name is 3-ethenoxy-1,1,2,2,5,5-hexafluoropentane.

Molecular Properties

Compound Name3-ethenoxy-1,1,2,2,5,5-hexafluoropentane
PubChem CID54352074
Molecular FormulaC7H8F6O
Molecular Weight222.13 g/mol
Exact Mass222.05
IUPAC Name3-ethenoxy-1,1,2,2,5,5-hexafluoropentane
SMILESC=COC(CC(F)F)C(F)(F)C(F)F
InChIInChI=1S/C7H8F6O/c1-2-14-4(3-5(8)9)7(12,13)6(10)11/h2,4-6H,1,3H2
InChIKeyUGLXVSVYHFQPQN-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane
CID 57312644
1-ethenoxy-1,2-difluoroethane
CID 56626472
2-ethenoxy-1,1,1,3-tetrafluorobutane
CID 54405193
1-ethenoxy-1,2,2-trifluoroethane
CID 22645809
(4-ethenoxy-3-ethenylhex-1-en-3-yl)silane
CID 173390382
3-ethoxy-1,1,2,2,5-pentafluoropentane
CID 54131006
(3R)-5,5-difluoro-3-methylpent-1-ene
CID 137420018
2-chloro-1,1,1,2-tetrafluoroethane;ethenoxyethene
CID 174518312
1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride
CID 87438689
2-(difluoromethyl)-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane
CID 177246319
4-ethenoxyheptane-2,6-diol
CID 174290240
(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171313749

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-1,1,2,2,5,5-hexafluoropentane?
The IUPAC name of 3-ethenoxy-1,1,2,2,5,5-hexafluoropentane (CID 54352074) is 3-ethenoxy-1,1,2,2,5,5-hexafluoropentane.
What is the SMILES notation for 3-ethenoxy-1,1,2,2,5,5-hexafluoropentane?
The canonical SMILES for 3-ethenoxy-1,1,2,2,5,5-hexafluoropentane is C=COC(CC(F)F)C(F)(F)C(F)F.
What is the InChIKey of 3-ethenoxy-1,1,2,2,5,5-hexafluoropentane?
The InChIKey is UGLXVSVYHFQPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O/c1-2-14-4(3-5(8)9)7(12,13)6(10)11/h2,4-6H,1,3H2.
What are the key properties of 3-ethenoxy-1,1,2,2,5,5-hexafluoropentane?
3-ethenoxy-1,1,2,2,5,5-hexafluoropentane has a molecular weight of 222.13 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-1,1,2,2,5,5-hexafluoropentane is sourced from PubChem (CID 54352074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).