1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate

C14H22F4O2 — CID 141212931

IUPAC1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)CCCCCCCCC(F)(F)F
InChIInChI=1S/C14H22F4O2/c1-11(2)13(19)20-12(15)9-7-5-3-4-6-8-10-14(16,17)18/h12H,1,3-10H2,2H3
InChIKeyPSELWPFKEHCJKQ-UHFFFAOYSA-N
MW298.32 g/mol
LogP5.08
Rot. Bonds10

About 1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate

1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate (PubChem CID 141212931) has the molecular formula C14H22F4O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate
PubChem CID141212931
Molecular FormulaC14H22F4O2
Molecular Weight298.32 g/mol
Exact Mass298.16
IUPAC Name1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)CCCCCCCCC(F)(F)F
InChIInChI=1S/C14H22F4O2/c1-11(2)13(19)20-12(15)9-7-5-3-4-6-8-10-14(16,17)18/h12H,1,3-10H2,2H3
InChIKeyPSELWPFKEHCJKQ-UHFFFAOYSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.32
LogP ≤ 55.08
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'}

Analyze 1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate 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

1,4,4,4-tetrafluorobutyl 2-methylprop-2-enoate
CID 87071252
(7,7,7-trifluoro-2,2-dimethylheptan-3-yl) 2-methylprop-2-enoate
CID 170129104
1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate
CID 139676594
(5,5,5-trifluoro-1-hydroxypentan-2-yl) 2-methylprop-2-enoate
CID 139913005
11,11-dimethyldodecan-3-yl 2-methylprop-2-enoate
CID 164546841
8,8,9,9,10,10,11,11,12,12,15,15,15-tridecafluoropentadecan-7-yl 2-methylprop-2-enoate
CID 171483137
1-fluoroheptyl 2-methylidenetetradecanoate
CID 156699998
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate
CID 142686582
[10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate
CID 140695819
1,1,2,2,3,3,4,4,5,5,6,6,11,11,11-pentadecafluoroundecyl 2-methylprop-2-enoate
CID 168875432
[7-methyl-7-(2-methylprop-2-enoyloxy)octan-2-yl] 2-methylprop-2-enoate
CID 22259481

Frequently Asked Questions

What is the IUPAC name of 1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate?
The IUPAC name of 1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate (CID 141212931) is 1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate?
The canonical SMILES for 1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(F)CCCCCCCCC(F)(F)F.
What is the InChIKey of 1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate?
The InChIKey is PSELWPFKEHCJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4O2/c1-11(2)13(19)20-12(15)9-7-5-3-4-6-8-10-14(16,17)18/h12H,1,3-10H2,2H3.
What are the key properties of 1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate?
1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate has a molecular weight of 298.32 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,10,10-tetrafluorodecyl 2-methylprop-2-enoate is sourced from PubChem (CID 141212931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).