methyl 4-[(2-fluorophenyl)methyl]hexanoate

C14H19FO2 — CID 174497921

IUPACmethyl 4-[(2-fluorophenyl)methyl]hexanoate
SMILESCCC(CCC(=O)OC)Cc1ccccc1F
InChIInChI=1S/C14H19FO2/c1-3-11(8-9-14(16)17-2)10-12-6-4-5-7-13(12)15/h4-7,11H,3,8-10H2,1-2H3
InChIKeySKHILDAWHJOBAT-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.35
Rot. Bonds6

About methyl 4-[(2-fluorophenyl)methyl]hexanoate

methyl 4-[(2-fluorophenyl)methyl]hexanoate (PubChem CID 174497921) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is methyl 4-[(2-fluorophenyl)methyl]hexanoate.

Molecular Properties

Compound Namemethyl 4-[(2-fluorophenyl)methyl]hexanoate
PubChem CID174497921
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Namemethyl 4-[(2-fluorophenyl)methyl]hexanoate
SMILESCCC(CCC(=O)OC)Cc1ccccc1F
InChIInChI=1S/C14H19FO2/c1-3-11(8-9-14(16)17-2)10-12-6-4-5-7-13(12)15/h4-7,11H,3,8-10H2,1-2H3
InChIKeySKHILDAWHJOBAT-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 5,5-diphenylpentanoate
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N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
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methyl 3-[2-amino-1-(2-fluorophenyl)butyl]sulfanylpropanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-fluorophenyl)methyl]hexanoate?
The IUPAC name of methyl 4-[(2-fluorophenyl)methyl]hexanoate (CID 174497921) is methyl 4-[(2-fluorophenyl)methyl]hexanoate.
What is the SMILES notation for methyl 4-[(2-fluorophenyl)methyl]hexanoate?
The canonical SMILES for methyl 4-[(2-fluorophenyl)methyl]hexanoate is CCC(CCC(=O)OC)Cc1ccccc1F.
What is the InChIKey of methyl 4-[(2-fluorophenyl)methyl]hexanoate?
The InChIKey is SKHILDAWHJOBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-3-11(8-9-14(16)17-2)10-12-6-4-5-7-13(12)15/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of methyl 4-[(2-fluorophenyl)methyl]hexanoate?
methyl 4-[(2-fluorophenyl)methyl]hexanoate has a molecular weight of 238.30 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-fluorophenyl)methyl]hexanoate is sourced from PubChem (CID 174497921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).