2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate

C10H15F5O3 — CID 87166735

IUPAC2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate
SMILESCCC(O)(CC)CC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F5O3/c1-3-8(17,4-2)5-7(16)18-6-9(11,12)10(13,14)15/h17H,3-6H2,1-2H3
InChIKeyVHEXUFIEGYHPOM-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.67
Rot. Bonds6

About 2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate

2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate (PubChem CID 87166735) has the molecular formula C10H15F5O3 and a molecular weight of 278.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate
PubChem CID87166735
Molecular FormulaC10H15F5O3
Molecular Weight278.22 g/mol
Exact Mass278.09
IUPAC Name2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate
SMILESCCC(O)(CC)CC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F5O3/c1-3-8(17,4-2)5-7(16)18-6-9(11,12)10(13,14)15/h17H,3-6H2,1-2H3
InChIKeyVHEXUFIEGYHPOM-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2,2-difluoro-3-hydroxy-3-methylbutanoate
CID 10487666
Ethyl 4,4,5,5,5-pentafluoro-3-hydroxypentanoate
CID 21883573
Ethyl 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate
CID 25146776
2,2-Difluoro-2-(4-methoxyoxan-4-yl)acetic acid
CID 136575791
(4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one
CID 25323970
2-Fluoro-3-hydroxy-2-trifluoromethyl-pentanoic acid ethyl ester
CID 15698177
Ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate
CID 11116872
Ethyl 3-tert-butylperoxy-4,4,5,5-tetrafluoro-3-hydroxypentanoate
CID 14690897
3-Ethyl-2,2-difluoro-3-hydroxypentanoic acid
CID 10487667
2,2-Difluoro-3-hydroxy-4-methylpentanoic acid ethyl ester
CID 11171572
Ethyl 3-hydroxy-2-(2,2,2-trifluoroethyl)pentanoate
CID 15512409
4-Hydroxy-4-(trifluoromethyl)oxan-2-one
CID 16228888

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate (CID 87166735) is 2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate is CCC(O)(CC)CC(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate?
The InChIKey is VHEXUFIEGYHPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5O3/c1-3-8(17,4-2)5-7(16)18-6-9(11,12)10(13,14)15/h17H,3-6H2,1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate?
2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate has a molecular weight of 278.22 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 3-ethyl-3-hydroxypentanoate is sourced from PubChem (CID 87166735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).