1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate

C14H16F10O2 — CID 139676594

IUPAC1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)CCCCCC(F)(F)F
InChIInChI=1S/C14H16F10O2/c1-8(2)10(25)26-14(23,24)13(21,22)12(19,20)9(15)6-4-3-5-7-11(16,17)18/h9H,1,3-7H2,2H3
InChIKeyHRDGNWDSENTNGF-UHFFFAOYSA-N
MW406.26 g/mol
LogP5.82
Rot. Bonds10

About 1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate

1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate (PubChem CID 139676594) has the molecular formula C14H16F10O2 and a molecular weight of 406.26 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate
PubChem CID139676594
Molecular FormulaC14H16F10O2
Molecular Weight406.26 g/mol
Exact Mass406.10
IUPAC Name1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)CCCCCC(F)(F)F
InChIInChI=1S/C14H16F10O2/c1-8(2)10(25)26-14(23,24)13(21,22)12(19,20)9(15)6-4-3-5-7-11(16,17)18/h9H,1,3-7H2,2H3
InChIKeyHRDGNWDSENTNGF-UHFFFAOYSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.26
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate with MolForge

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,11,11,11-pentadecafluoroundecyl 2-methylprop-2-enoate
CID 168875432
1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptyl 2-methylprop-2-enoate
CID 71374003
1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate
CID 141212931
(1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate
CID 150017799
(1,1,2,2,3,3,4,4,5,5,11,11,11-tridecafluoro-10-methylundecyl) 2-methylprop-2-enoate
CID 139631410
[1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-8-(2,2,2-trifluoroethyl)undecyl] 2-methylprop-2-enoate
CID 151782399
1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl 2-methylprop-2-enoate
CID 54400013
acetic acid;1,1,2,2,3,10,10,10-octafluoro-N,N-dimethyldecan-1-amine
CID 174473146
1,4,4,4-tetrafluorobutyl 2-methylprop-2-enoate
CID 87071252
1,1,2,2,3,3,4,4,5,8,8,8-dodecafluorooctyl prop-2-enoate
CID 87435634
azane;1,1,2,2,3,3,4,4,5,12,12,12-dodecafluorododecane-1-sulfonic acid
CID 175157494
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,12,12,12-tetradecafluorododecane-1-sulfonic acid
CID 171932052

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate?
The IUPAC name of 1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate (CID 139676594) is 1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)CCCCCC(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate?
The InChIKey is HRDGNWDSENTNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F10O2/c1-8(2)10(25)26-14(23,24)13(21,22)12(19,20)9(15)6-4-3-5-7-11(16,17)18/h9H,1,3-7H2,2H3.
What are the key properties of 1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate?
1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate has a molecular weight of 406.26 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate is sourced from PubChem (CID 139676594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).