1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate

C10H17F3O5 — CID 87974815

IUPAC1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
SMILESCCOC(C)OC(C)OC(=O)CC(O)C(F)(F)F
InChIInChI=1S/C10H17F3O5/c1-4-16-6(2)17-7(3)18-9(15)5-8(14)10(11,12)13/h6-8,14H,4-5H2,1-3H3
InChIKeyFRMSNIJSHYCZQM-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.59
Rot. Bonds7

About 1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate

1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate (PubChem CID 87974815) has the molecular formula C10H17F3O5 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
PubChem CID87974815
Molecular FormulaC10H17F3O5
Molecular Weight274.24 g/mol
Exact Mass274.10
IUPAC Name1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
SMILESCCOC(C)OC(C)OC(=O)CC(O)C(F)(F)F
InChIInChI=1S/C10H17F3O5/c1-4-16-6(2)17-7(3)18-9(15)5-8(14)10(11,12)13/h6-8,14H,4-5H2,1-3H3
InChIKeyFRMSNIJSHYCZQM-UHFFFAOYSA-N
XLogP1.59
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dichloromethyl 4,4,4-trifluoro-3-hydroxybutanoate
CID 175225755
1-(1-ethoxyethoxy)ethyl carbamate
CID 175609517
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
CID 22481559
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
2,2,2-trichloroethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate
CID 163274286
dimethyl (2R)-2-(1-ethoxyethoxy)butanedioate
CID 101043631
dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate
CID 129407052
ethyl (3S)-4,4-difluoro-3-hydroxypentanoate
CID 122595250
bis(1-ethoxyethyl) decanedioate
CID 87368848
2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid
CID 175565416
propan-2-yl (3R)-4,4,4-trifluoro-3-methylbutanoate
CID 158265536
carbonic acid;1,1-diethoxyethane
CID 87827362

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate?
The IUPAC name of 1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate (CID 87974815) is 1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate.
What is the SMILES notation for 1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate?
The canonical SMILES for 1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate is CCOC(C)OC(C)OC(=O)CC(O)C(F)(F)F.
What is the InChIKey of 1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate?
The InChIKey is FRMSNIJSHYCZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O5/c1-4-16-6(2)17-7(3)18-9(15)5-8(14)10(11,12)13/h6-8,14H,4-5H2,1-3H3.
What are the key properties of 1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate?
1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate has a molecular weight of 274.24 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate is sourced from PubChem (CID 87974815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).