ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate

C14H18ClFO3 — CID 105426766

IUPACethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate
SMILESCCOC(=O)C(C)(F)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C14H18ClFO3/c1-5-18-13(17)14(4,16)10-6-7-12(11(15)8-10)19-9(2)3/h6-9H,5H2,1-4H3
InChIKeyKARTYCCTRPHUMK-UHFFFAOYSA-N
MW288.75 g/mol
LogP3.88
Rot. Bonds5

About ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate

ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate (PubChem CID 105426766) has the molecular formula C14H18ClFO3 and a molecular weight of 288.75 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate
PubChem CID105426766
Molecular FormulaC14H18ClFO3
Molecular Weight288.75 g/mol
Exact Mass288.09
IUPAC Nameethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate
SMILESCCOC(=O)C(C)(F)c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C14H18ClFO3/c1-5-18-13(17)14(4,16)10-6-7-12(11(15)8-10)19-9(2)3/h6-9H,5H2,1-4H3
InChIKeyKARTYCCTRPHUMK-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate
CID 105426760
ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate
CID 118647066
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol
CID 82293995
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine
CID 112519805
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
2-(4-tert-butyl-2-chlorophenoxy)propanoic acid
CID 54793047
ethyl 2-(3-chloro-4-methylphenyl)-2-methylpropanoate
CID 105426730
[2-chloro-4-(trifluoromethyl)phenyl] 3,3-dimethylbutanoate
CID 90868666
ethyl 2-(3-chloro-4-hydroxyphenyl)-2-methylpropanoate
CID 105426673
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate?
The IUPAC name of ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate (CID 105426766) is ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate.
What is the SMILES notation for ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate?
The canonical SMILES for ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate is CCOC(=O)C(C)(F)c1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate?
The InChIKey is KARTYCCTRPHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO3/c1-5-18-13(17)14(4,16)10-6-7-12(11(15)8-10)19-9(2)3/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate?
ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate has a molecular weight of 288.75 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate is sourced from PubChem (CID 105426766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).