10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane

C12H4F20O — CID 19765940

IUPAC10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane
SMILESC=COC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H4F20O/c1-2-33-5(16,17)3(13)4(14,15)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)32/h2-3H,1H2
InChIKeyQQJUVRFWHNHNNW-UHFFFAOYSA-N
MW544.12 g/mol
LogP7.09
Rot. Bonds10

About 10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane

10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane (PubChem CID 19765940) has the molecular formula C12H4F20O and a molecular weight of 544.12 g/mol. Its IUPAC name is 10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane.

Molecular Properties

Compound Name10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane
PubChem CID19765940
Molecular FormulaC12H4F20O
Molecular Weight544.12 g/mol
Exact Mass543.99
IUPAC Name10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane
SMILESC=COC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H4F20O/c1-2-33-5(16,17)3(13)4(14,15)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)32/h2-3H,1H2
InChIKeyQQJUVRFWHNHNNW-UHFFFAOYSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.12
LogP ≤ 57.09
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'}

Analyze 10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl prop-2-enoate
CID 21087786
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl carbonochloridate
CID 87686124
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecane-1-thiol
CID 18387026
1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane
CID 175759806
1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol
CID 91384893
1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol
CID 174363014
2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid
CID 71425836
1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane
CID 141204802
1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride
CID 87438689
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecan-1-ol
CID 175326600
sodium;hydride;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
CID 173105318
(2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal
CID 98118080

Frequently Asked Questions

What is the IUPAC name of 10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane?
The IUPAC name of 10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane (CID 19765940) is 10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane.
What is the SMILES notation for 10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane?
The canonical SMILES for 10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane is C=COC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane?
The InChIKey is QQJUVRFWHNHNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F20O/c1-2-33-5(16,17)3(13)4(14,15)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)32/h2-3H,1H2.
What are the key properties of 10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane?
10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane has a molecular weight of 544.12 g/mol, XLogP of 7.09, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane is sourced from PubChem (CID 19765940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).