ethyl 2,3,5-trifluoropentanoate

C7H11F3O2 — CID 174529809

IUPACethyl 2,3,5-trifluoropentanoate
SMILESCCOC(=O)C(F)C(F)CCF
InChIInChI=1S/C7H11F3O2/c1-2-12-7(11)6(10)5(9)3-4-8/h5-6H,2-4H2,1H3
InChIKeyDKTKMOGHZDHFSQ-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.59
Rot. Bonds5

About ethyl 2,3,5-trifluoropentanoate

ethyl 2,3,5-trifluoropentanoate (PubChem CID 174529809) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is ethyl 2,3,5-trifluoropentanoate.

Molecular Properties

Compound Nameethyl 2,3,5-trifluoropentanoate
PubChem CID174529809
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Nameethyl 2,3,5-trifluoropentanoate
SMILESCCOC(=O)C(F)C(F)CCF
InChIInChI=1S/C7H11F3O2/c1-2-12-7(11)6(10)5(9)3-4-8/h5-6H,2-4H2,1H3
InChIKeyDKTKMOGHZDHFSQ-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 2,4,4-trifluorobutanoate
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ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate
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ethyl 2-amino-4-(2-fluoroethylsulfanyl)butanoate
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ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
CID 79367296
ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate
CID 131864124
ethyl 2-fluoro-3-methylpent-4-enoate
CID 86259333
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
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ethyl (2R)-2-fluoroheptanoate
CID 102068873

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,5-trifluoropentanoate?
The IUPAC name of ethyl 2,3,5-trifluoropentanoate (CID 174529809) is ethyl 2,3,5-trifluoropentanoate.
What is the SMILES notation for ethyl 2,3,5-trifluoropentanoate?
The canonical SMILES for ethyl 2,3,5-trifluoropentanoate is CCOC(=O)C(F)C(F)CCF.
What is the InChIKey of ethyl 2,3,5-trifluoropentanoate?
The InChIKey is DKTKMOGHZDHFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-2-12-7(11)6(10)5(9)3-4-8/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 2,3,5-trifluoropentanoate?
ethyl 2,3,5-trifluoropentanoate has a molecular weight of 184.16 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3,5-trifluoropentanoate is sourced from PubChem (CID 174529809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).