2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate

C8H10F4O3 — CID 155774744

IUPAC2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate
SMILESC=CCC(O)COC(=O)C(F)C(F)(F)F
InChIInChI=1S/C8H10F4O3/c1-2-3-5(13)4-15-7(14)6(9)8(10,11)12/h2,5-6,13H,1,3-4H2
InChIKeyCABZIPGUYTXAMH-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.37
Rot. Bonds5

About 2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate

2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate (PubChem CID 155774744) has the molecular formula C8H10F4O3 and a molecular weight of 230.16 g/mol. Its IUPAC name is 2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Name2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate
PubChem CID155774744
Molecular FormulaC8H10F4O3
Molecular Weight230.16 g/mol
Exact Mass230.06
IUPAC Name2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate
SMILESC=CCC(O)COC(=O)C(F)C(F)(F)F
InChIInChI=1S/C8H10F4O3/c1-2-3-5(13)4-15-7(14)6(9)8(10,11)12/h2,5-6,13H,1,3-4H2
InChIKeyCABZIPGUYTXAMH-UHFFFAOYSA-N
XLogP1.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-hydroxypent-4-enyl] benzoate
CID 11106524
2-fluoroethyl 2,3,3,3-tetrafluoropropanoate
CID 134247673
(4,4-difluoro-2,6-dihydroxy-7-prop-2-enoyloxyheptyl) prop-2-enoate
CID 155788262
(2R)-1-propan-2-yloxypent-4-en-2-ol
CID 130127578
2,3-dihydroxypropyl 2-prop-2-enyloctadecanoate
CID 87556973
hex-5-en-3-ol
CID 158321330
(3S)-hex-5-en-3-ol
CID 10749148
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
1-chloroethenyl 2,3,3,3-tetrafluoropropanoate
CID 175302669
1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate
CID 88537567
5-(trifluoromethyl)octa-1,7-dien-4-one
CID 10921356
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate?
The IUPAC name of 2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate (CID 155774744) is 2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for 2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for 2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate is C=CCC(O)COC(=O)C(F)C(F)(F)F.
What is the InChIKey of 2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate?
The InChIKey is CABZIPGUYTXAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4O3/c1-2-3-5(13)4-15-7(14)6(9)8(10,11)12/h2,5-6,13H,1,3-4H2.
What are the key properties of 2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate?
2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate has a molecular weight of 230.16 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 155774744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).