(2,2-difluoro-2-phenylethyl) acetate

C10H10F2O2 — CID 15851499

IUPAC(2,2-difluoro-2-phenylethyl) acetate
SMILESCC(=O)OCC(F)(F)c1ccccc1
InChIInChI=1S/C10H10F2O2/c1-8(13)14-7-10(11,12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyPMYLGCXXLRLDSP-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.34
Rot. Bonds3

About (2,2-difluoro-2-phenylethyl) acetate

(2,2-difluoro-2-phenylethyl) acetate (PubChem CID 15851499) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is (2,2-difluoro-2-phenylethyl) acetate.

Molecular Properties

Compound Name(2,2-difluoro-2-phenylethyl) acetate
PubChem CID15851499
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name(2,2-difluoro-2-phenylethyl) acetate
SMILESCC(=O)OCC(F)(F)c1ccccc1
InChIInChI=1S/C10H10F2O2/c1-8(13)14-7-10(11,12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyPMYLGCXXLRLDSP-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl acetate
CID 8785
2-Phenylethyl propionate
CID 31225
Methyl phenylacetate
CID 7559
2-Phenylethyl Acetate
CID 7654
Phenethyl butyrate
CID 7658
Phenethyl hexanoate
CID 61384
Phenylethyl 2-methylbutyrate
CID 520148
Ethyl phenylacetate
CID 7590
1,1-Dimethyl-2-phenylethyl butyrate
CID 24915
Isopropyl Phenylacetate
CID 62553
Isoamyl phenylacetate
CID 7600
Phenethyl isobutyrate
CID 7655

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-2-phenylethyl) acetate?
The IUPAC name of (2,2-difluoro-2-phenylethyl) acetate (CID 15851499) is (2,2-difluoro-2-phenylethyl) acetate.
What is the SMILES notation for (2,2-difluoro-2-phenylethyl) acetate?
The canonical SMILES for (2,2-difluoro-2-phenylethyl) acetate is CC(=O)OCC(F)(F)c1ccccc1.
What is the InChIKey of (2,2-difluoro-2-phenylethyl) acetate?
The InChIKey is PMYLGCXXLRLDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-8(13)14-7-10(11,12)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of (2,2-difluoro-2-phenylethyl) acetate?
(2,2-difluoro-2-phenylethyl) acetate has a molecular weight of 200.18 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-2-phenylethyl) acetate is sourced from PubChem (CID 15851499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).