propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate

C14H19FO3 — CID 146593720

IUPACpropan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate
SMILESCC(C)OC(=O)C(C)(C)COc1ccc(F)cc1
InChIInChI=1S/C14H19FO3/c1-10(2)18-13(16)14(3,4)9-17-12-7-5-11(15)6-8-12/h5-8,10H,9H2,1-4H3
InChIKeyWPFYXJBIEYTJHH-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.18
Rot. Bonds5

About propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate

propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate (PubChem CID 146593720) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate
PubChem CID146593720
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Namepropan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate
SMILESCC(C)OC(=O)C(C)(C)COc1ccc(F)cc1
InChIInChI=1S/C14H19FO3/c1-10(2)18-13(16)14(3,4)9-17-12-7-5-11(15)6-8-12/h5-8,10H,9H2,1-4H3
InChIKeyWPFYXJBIEYTJHH-UHFFFAOYSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenoxy)-2,2-dimethylpropanoyl chloride
CID 82041206
methyl 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoate
CID 107716503
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
methyl 2,2-dimethyl-3-[4-[(propan-2-ylamino)methyl]phenoxy]propanoate
CID 79630272
propan-2-yl 2,2-dimethyl-3-trityloxypropanoate
CID 135147480
methyl 3-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoate
CID 79629302
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 110708825
2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380791
N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
CID 66525538
methyl 2-(4-fluorophenoxy)acetate
CID 580550
tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate
CID 163740142
2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111479721

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate?
The IUPAC name of propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate (CID 146593720) is propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate.
What is the SMILES notation for propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate?
The canonical SMILES for propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate is CC(C)OC(=O)C(C)(C)COc1ccc(F)cc1.
What is the InChIKey of propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate?
The InChIKey is WPFYXJBIEYTJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-10(2)18-13(16)14(3,4)9-17-12-7-5-11(15)6-8-12/h5-8,10H,9H2,1-4H3.
What are the key properties of propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate?
propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate has a molecular weight of 254.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-fluorophenoxy)-2,2-dimethylpropanoate is sourced from PubChem (CID 146593720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).