2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate

C8H10F4O2 — CID 87071251

IUPAC2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)C(F)C(F)F
InChIInChI=1S/C8H10F4O2/c1-4(2)8(13)14-3-5(9)6(10)7(11)12/h5-7H,1,3H2,2H3
InChIKeyOLESPOVYAVTPBW-UHFFFAOYSA-N
MW214.16 g/mol
LogP2.05
Rot. Bonds5

About 2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate

2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate (PubChem CID 87071251) has the molecular formula C8H10F4O2 and a molecular weight of 214.16 g/mol. Its IUPAC name is 2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate
PubChem CID87071251
Molecular FormulaC8H10F4O2
Molecular Weight214.16 g/mol
Exact Mass214.06
IUPAC Name2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)C(F)C(F)F
InChIInChI=1S/C8H10F4O2/c1-4(2)8(13)14-3-5(9)6(10)7(11)12/h5-7H,1,3H2,2H3
InChIKeyOLESPOVYAVTPBW-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6,7-hexafluoroheptyl 2-methylprop-2-enoate
CID 174639375
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
2-(2,3,4,5,6-pentafluorophenyl)propyl 2-methylprop-2-enoate
CID 88744529
[2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate
CID 175067527
[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 19428958
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
1-fluoroethoxymethyl 2-methylprop-2-enoate
CID 59816439
2,3-bis(sulfanyl)propyl 2-methylprop-2-enoate
CID 54337333

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate?
The IUPAC name of 2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate (CID 87071251) is 2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)C(F)C(F)F.
What is the InChIKey of 2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate?
The InChIKey is OLESPOVYAVTPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4O2/c1-4(2)8(13)14-3-5(9)6(10)7(11)12/h5-7H,1,3H2,2H3.
What are the key properties of 2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate?
2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate has a molecular weight of 214.16 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetrafluorobutyl 2-methylprop-2-enoate is sourced from PubChem (CID 87071251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).