(4-fluorophenyl)methyl acetate

C9H9FO2 — CID 14793785

IUPAC(4-fluorophenyl)methyl acetate
SMILESCC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C9H9FO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3
InChIKeyDJBFVOJTBWVMKW-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.89
Rot. Bonds2

About (4-fluorophenyl)methyl acetate

(4-fluorophenyl)methyl acetate (PubChem CID 14793785) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is (4-fluorophenyl)methyl acetate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl acetate
PubChem CID14793785
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name(4-fluorophenyl)methyl acetate
SMILESCC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C9H9FO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3
InChIKeyDJBFVOJTBWVMKW-UHFFFAOYSA-N
XLogP1.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 90816966
CID 90816966
(4-fluorophenyl)methyl (2R)-2-aminopropanoate
CID 94254370
benzyl acetate
CID 8785
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2-[4-(acetyloxymethyl)phenyl]acetic acid
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(4-hydrazinylphenyl)methyl acetate
CID 123892480
(4-fluorophenyl)methyl N-aminocarbamate
CID 131187793
(4-fluoro-3-hydroxyphenyl)methyl acetate
CID 130354561
benzyl acetate;molecular nitrogen
CID 174861862
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
benzyl acetate;carbamic acid
CID 159542161
[4-(acetyloxymethyl)phenyl]methanesulfinate
CID 174615987

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl acetate?
The IUPAC name of (4-fluorophenyl)methyl acetate (CID 14793785) is (4-fluorophenyl)methyl acetate.
What is the SMILES notation for (4-fluorophenyl)methyl acetate?
The canonical SMILES for (4-fluorophenyl)methyl acetate is CC(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl acetate?
The InChIKey is DJBFVOJTBWVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3.
What are the key properties of (4-fluorophenyl)methyl acetate?
(4-fluorophenyl)methyl acetate has a molecular weight of 168.17 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl acetate is sourced from PubChem (CID 14793785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).