propyl 2-(3-fluorophenyl)acetate

C11H13FO2 — CID 43389577

IUPACpropyl 2-(3-fluorophenyl)acetate
SMILESCCCOC(=O)Cc1cccc(F)c1
InChIInChI=1S/C11H13FO2/c1-2-6-14-11(13)8-9-4-3-5-10(12)7-9/h3-5,7H,2,6,8H2,1H3
InChIKeyDHAAXXILKNTICH-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.32
Rot. Bonds4

About propyl 2-(3-fluorophenyl)acetate

propyl 2-(3-fluorophenyl)acetate (PubChem CID 43389577) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is propyl 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Namepropyl 2-(3-fluorophenyl)acetate
PubChem CID43389577
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Namepropyl 2-(3-fluorophenyl)acetate
SMILESCCCOC(=O)Cc1cccc(F)c1
InChIInChI=1S/C11H13FO2/c1-2-6-14-11(13)8-9-4-3-5-10(12)7-9/h3-5,7H,2,6,8H2,1H3
InChIKeyDHAAXXILKNTICH-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 2-(3-iodophenyl)acetate
CID 139697967
fluoro 2-(3-fluorophenyl)acetate
CID 144594413
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590359
[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589788
phenyl 2-(3-fluorophenyl)acetate
CID 121272908
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589809
5-O-[(3-fluorophenyl)methyl] 1-O-undecyl pentanedioate
CID 91707222
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 71820754
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590501
N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113100102
butyl 2-(3-phenoxyphenyl)acetate
CID 22123808

Frequently Asked Questions

What is the IUPAC name of propyl 2-(3-fluorophenyl)acetate?
The IUPAC name of propyl 2-(3-fluorophenyl)acetate (CID 43389577) is propyl 2-(3-fluorophenyl)acetate.
What is the SMILES notation for propyl 2-(3-fluorophenyl)acetate?
The canonical SMILES for propyl 2-(3-fluorophenyl)acetate is CCCOC(=O)Cc1cccc(F)c1.
What is the InChIKey of propyl 2-(3-fluorophenyl)acetate?
The InChIKey is DHAAXXILKNTICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-2-6-14-11(13)8-9-4-3-5-10(12)7-9/h3-5,7H,2,6,8H2,1H3.
What are the key properties of propyl 2-(3-fluorophenyl)acetate?
propyl 2-(3-fluorophenyl)acetate has a molecular weight of 196.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 43389577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).