3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate

C16H20F2O3 — CID 99817515

IUPAC3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate
SMILESO=C(Cc1cc(F)ccc1F)OCCCOC1CCCC1
InChIInChI=1S/C16H20F2O3/c17-13-6-7-15(18)12(10-13)11-16(19)21-9-3-8-20-14-4-1-2-5-14/h6-7,10,14H,1-5,8-9,11H2
InChIKeyVOANLYHDVGLXTM-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.40
Rot. Bonds7

About 3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate

3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate (PubChem CID 99817515) has the molecular formula C16H20F2O3 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate.

Molecular Properties

Compound Name3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate
PubChem CID99817515
Molecular FormulaC16H20F2O3
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Name3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate
SMILESO=C(Cc1cc(F)ccc1F)OCCCOC1CCCC1
InChIInChI=1S/C16H20F2O3/c17-13-6-7-15(18)12(10-13)11-16(19)21-9-3-8-20-14-4-1-2-5-14/h6-7,10,14H,1-5,8-9,11H2
InChIKeyVOANLYHDVGLXTM-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119662837
1-(3-cyclohexyloxypropyl)-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
CID 111787025
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766
4-O-[(2,5-difluorophenyl)methyl] 1-O-hexadecyl butanedioate
CID 91712941
2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
CID 100564682
2-cyclobutyloxy-1-(2,5-difluorophenyl)ethanone
CID 62141584
10-O-[(2,5-difluorophenyl)methyl] 1-O-pentyl decanedioate
CID 91713092
1-O-butyl 4-O-[(2,5-difluorophenyl)methyl] butanedioate
CID 91702376
N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29495039
2-(2,5-difluorophenyl)acetamide
CID 21245498
cyclohexyl 2-(2-fluorophenyl)acetate
CID 78840084
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate?
The IUPAC name of 3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate (CID 99817515) is 3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate.
What is the SMILES notation for 3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate?
The canonical SMILES for 3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate is O=C(Cc1cc(F)ccc1F)OCCCOC1CCCC1.
What is the InChIKey of 3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate?
The InChIKey is VOANLYHDVGLXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O3/c17-13-6-7-15(18)12(10-13)11-16(19)21-9-3-8-20-14-4-1-2-5-14/h6-7,10,14H,1-5,8-9,11H2.
What are the key properties of 3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate?
3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate has a molecular weight of 298.33 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxypropyl 2-(2,5-difluorophenyl)acetate is sourced from PubChem (CID 99817515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).