ethyl 2-(3,5-difluorophenoxy)hexanoate

C14H18F2O3 — CID 134817597

IUPACethyl 2-(3,5-difluorophenoxy)hexanoate
SMILESCCCCC(Oc1cc(F)cc(F)c1)C(=O)OCC
InChIInChI=1S/C14H18F2O3/c1-3-5-6-13(14(17)18-4-2)19-12-8-10(15)7-11(16)9-12/h7-9,13H,3-6H2,1-2H3
InChIKeySESDZAJBDKERAG-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.47
Rot. Bonds7

About ethyl 2-(3,5-difluorophenoxy)hexanoate

ethyl 2-(3,5-difluorophenoxy)hexanoate (PubChem CID 134817597) has the molecular formula C14H18F2O3 and a molecular weight of 272.29 g/mol. Its IUPAC name is ethyl 2-(3,5-difluorophenoxy)hexanoate.

Molecular Properties

Compound Nameethyl 2-(3,5-difluorophenoxy)hexanoate
PubChem CID134817597
Molecular FormulaC14H18F2O3
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Nameethyl 2-(3,5-difluorophenoxy)hexanoate
SMILESCCCCC(Oc1cc(F)cc(F)c1)C(=O)OCC
InChIInChI=1S/C14H18F2O3/c1-3-5-6-13(14(17)18-4-2)19-12-8-10(15)7-11(16)9-12/h7-9,13H,3-6H2,1-2H3
InChIKeySESDZAJBDKERAG-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-phenoxydecanoate
CID 101000092
ethyl 2-[10-(1-ethoxy-1-oxohexan-2-yl)oxyanthracen-9-yl]oxyhexanoate
CID 156779096
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
4-amino-2-(3,5-difluorophenoxy)butanoic acid
CID 64695243
ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
methyl 2-[4-fluoro-3-(trifluoromethyl)phenoxy]hexanoate
CID 102746818
ethyl 2-[4-(2-acetamidoethyl)phenoxy]hexanoate
CID 23471007
ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride
CID 67822342
ethyl 2-(3-nitrophenoxy)tetradecanoate
CID 14122414
ethyl 2-[2-hydroxy-4-[4-(trifluoromethoxy)phenyl]phenoxy]hexanoate
CID 58008122
ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate
CID 103566157
4-(3,5-difluorophenoxy)pentan-2-one
CID 64697141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-difluorophenoxy)hexanoate?
The IUPAC name of ethyl 2-(3,5-difluorophenoxy)hexanoate (CID 134817597) is ethyl 2-(3,5-difluorophenoxy)hexanoate.
What is the SMILES notation for ethyl 2-(3,5-difluorophenoxy)hexanoate?
The canonical SMILES for ethyl 2-(3,5-difluorophenoxy)hexanoate is CCCCC(Oc1cc(F)cc(F)c1)C(=O)OCC.
What is the InChIKey of ethyl 2-(3,5-difluorophenoxy)hexanoate?
The InChIKey is SESDZAJBDKERAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O3/c1-3-5-6-13(14(17)18-4-2)19-12-8-10(15)7-11(16)9-12/h7-9,13H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(3,5-difluorophenoxy)hexanoate?
ethyl 2-(3,5-difluorophenoxy)hexanoate has a molecular weight of 272.29 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-difluorophenoxy)hexanoate is sourced from PubChem (CID 134817597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).