(2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate

C8H10F4O3 — CID 21187236

IUPAC(2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)C(F)(F)C(C)(F)F
InChIInChI=1S/C8H10F4O3/c1-4(2)5(13)15-6(14)8(11,12)7(3,9)10/h6,14H,1H2,2-3H3
InChIKeyQJFMDXIILFUFKE-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.71
Rot. Bonds4

About (2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate

(2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate (PubChem CID 21187236) has the molecular formula C8H10F4O3 and a molecular weight of 230.16 g/mol. Its IUPAC name is (2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate
PubChem CID21187236
Molecular FormulaC8H10F4O3
Molecular Weight230.16 g/mol
Exact Mass230.06
IUPAC Name(2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)C(F)(F)C(C)(F)F
InChIInChI=1S/C8H10F4O3/c1-4(2)5(13)15-6(14)8(11,12)7(3,9)10/h6,14H,1H2,2-3H3
InChIKeyQJFMDXIILFUFKE-UHFFFAOYSA-N
XLogP1.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,2,3,3,4,4,4-octafluorobutyl 2-methylprop-2-enoate
CID 22610830
1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2-methylprop-2-enoate
CID 11199384
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
1,2,2,3,3,4,4,5,5-nonafluoropentyl 2-methylprop-2-enoate
CID 19024310
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
(4,4,4-trifluoro-1-hydroxy-1-methoxybutan-2-yl) 2-methylprop-2-enoate
CID 139912990
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
(1,1,1-trifluoro-4-methylpent-3-en-2-yl) 2-methylprop-2-enoate
CID 167189028
1,4,4,4-tetrafluorobutyl 2-methylprop-2-enoate
CID 87071252

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate?
The IUPAC name of (2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate (CID 21187236) is (2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate?
The canonical SMILES for (2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(O)C(F)(F)C(C)(F)F.
What is the InChIKey of (2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate?
The InChIKey is QJFMDXIILFUFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4O3/c1-4(2)5(13)15-6(14)8(11,12)7(3,9)10/h6,14H,1H2,2-3H3.
What are the key properties of (2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate?
(2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate has a molecular weight of 230.16 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate is sourced from PubChem (CID 21187236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).