benzyl 2,2-difluoro-2-(4-methylphenyl)acetate

C16H14F2O2 — CID 170055273

IUPACbenzyl 2,2-difluoro-2-(4-methylphenyl)acetate
SMILESCc1ccc(C(F)(F)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H14F2O2/c1-12-7-9-14(10-8-12)16(17,18)15(19)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyYFRWSJDQIZUUAW-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.83
Rot. Bonds4

About benzyl 2,2-difluoro-2-(4-methylphenyl)acetate

benzyl 2,2-difluoro-2-(4-methylphenyl)acetate (PubChem CID 170055273) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is benzyl 2,2-difluoro-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Namebenzyl 2,2-difluoro-2-(4-methylphenyl)acetate
PubChem CID170055273
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Namebenzyl 2,2-difluoro-2-(4-methylphenyl)acetate
SMILESCc1ccc(C(F)(F)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H14F2O2/c1-12-7-9-14(10-8-12)16(17,18)15(19)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyYFRWSJDQIZUUAW-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate
CID 177256002
acetic acid;benzyl 2,2,2-trifluoroacetate
CID 157158802
benzyl 2,2,3,3-tetrafluoro-3-phenylpropanoate
CID 118000580
ethyl 2,2-difluoro-2-[4-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]phenyl]acetate
CID 21265696
ethyl 2-[4-[4-(2-ethoxy-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2-difluoroacetate
CID 58543748
benzyl 3-[4-[1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoate
CID 70398626
benzyl 2-amino-2-(4-methylphenyl)sulfonyloxy-2-phenylacetate
CID 57244758
benzyl 2-amino-2-phenylpropanoate
CID 54322564
benzyl carbonochloridate;toluene
CID 86663382
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279
benzyl 2,2,4-trifluoro-3-oxobutanoate
CID 87975459

Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-difluoro-2-(4-methylphenyl)acetate?
The IUPAC name of benzyl 2,2-difluoro-2-(4-methylphenyl)acetate (CID 170055273) is benzyl 2,2-difluoro-2-(4-methylphenyl)acetate.
What is the SMILES notation for benzyl 2,2-difluoro-2-(4-methylphenyl)acetate?
The canonical SMILES for benzyl 2,2-difluoro-2-(4-methylphenyl)acetate is Cc1ccc(C(F)(F)C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2,2-difluoro-2-(4-methylphenyl)acetate?
The InChIKey is YFRWSJDQIZUUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-12-7-9-14(10-8-12)16(17,18)15(19)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of benzyl 2,2-difluoro-2-(4-methylphenyl)acetate?
benzyl 2,2-difluoro-2-(4-methylphenyl)acetate has a molecular weight of 276.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2-difluoro-2-(4-methylphenyl)acetate is sourced from PubChem (CID 170055273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).