(1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate

C10H12F6O2 — CID 150017799

IUPAC(1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(C)C
InChIInChI=1S/C10H12F6O2/c1-5(2)7(17)18-10(15,16)9(13,14)8(11,12)6(3)4/h6H,1H2,2-4H3
InChIKeyDEPYLPCSUWQOAG-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.63
Rot. Bonds5

About (1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate

(1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate (PubChem CID 150017799) has the molecular formula C10H12F6O2 and a molecular weight of 278.19 g/mol. Its IUPAC name is (1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate
PubChem CID150017799
Molecular FormulaC10H12F6O2
Molecular Weight278.19 g/mol
Exact Mass278.07
IUPAC Name(1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(C)C
InChIInChI=1S/C10H12F6O2/c1-5(2)7(17)18-10(15,16)9(13,14)8(11,12)6(3)4/h6H,1H2,2-4H3
InChIKeyDEPYLPCSUWQOAG-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl 2-methylprop-2-enoate
CID 54400013
(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluoro-7-methyloctyl) 2-methylprop-2-enoate
CID 142711382
1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptyl 2-methylprop-2-enoate
CID 71374003
1,1,2,2,3,3,4,10,10,10-decafluorodecyl 2-methylprop-2-enoate
CID 139676594
[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
(1,2,2,3,3,3-hexafluoro-1-hydroxypropyl) 2-methylprop-2-enoate
CID 174727333
(1,1,2,2,3,3,4,4,5,5,11,11,11-tridecafluoro-10-methylundecyl) 2-methylprop-2-enoate
CID 139631410
1,1,2,2,3,3,4,4,5,5,6,6,11,11,11-pentadecafluoroundecyl 2-methylprop-2-enoate
CID 168875432
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosan-2-yl 2-methylprop-2-enoate
CID 87776584
1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecan-4-yl 2-methylprop-2-enoate
CID 141413005
[1,1,3,3,3-pentafluoro-2-hydroxy-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropyl] 2-methylprop-2-enoate
CID 89172038
2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate
CID 159858483

Frequently Asked Questions

What is the IUPAC name of (1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate?
The IUPAC name of (1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate (CID 150017799) is (1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate?
The canonical SMILES for (1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(C)C.
What is the InChIKey of (1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate?
The InChIKey is DEPYLPCSUWQOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O2/c1-5(2)7(17)18-10(15,16)9(13,14)8(11,12)6(3)4/h6H,1H2,2-4H3.
What are the key properties of (1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate?
(1,1,2,2,3,3-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate has a molecular weight of 278.19 g/mol, XLogP of 3.63, 5 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-hexafluoro-4-methylpentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 150017799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).