(2-fluorophenyl) 2-methylpentanoate

C12H15FO2 — CID 78777060

IUPAC(2-fluorophenyl) 2-methylpentanoate
SMILESCCCC(C)C(=O)Oc1ccccc1F
InChIInChI=1S/C12H15FO2/c1-3-6-9(2)12(14)15-11-8-5-4-7-10(11)13/h4-5,7-9H,3,6H2,1-2H3
InChIKeyWGIVRAVBQUXMPA-UHFFFAOYSA-N
MW210.25 g/mol
LogP3.17
Rot. Bonds4

About (2-fluorophenyl) 2-methylpentanoate

(2-fluorophenyl) 2-methylpentanoate (PubChem CID 78777060) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is (2-fluorophenyl) 2-methylpentanoate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-methylpentanoate
PubChem CID78777060
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name(2-fluorophenyl) 2-methylpentanoate
SMILESCCCC(C)C(=O)Oc1ccccc1F
InChIInChI=1S/C12H15FO2/c1-3-6-9(2)12(14)15-11-8-5-4-7-10(11)13/h4-5,7-9H,3,6H2,1-2H3
InChIKeyWGIVRAVBQUXMPA-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl) 2-methylpentanoate
CID 68905872
5-O-(2-fluorophenyl) 1-O-(2-methylpentyl) pentanedioate
CID 91709010
(2-propanoyloxyphenyl) 2-methylhexanoate
CID 90025005
(5-fluoro-2-nitrophenyl) 2-methylpentanoate
CID 75981586
(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
CID 107563253
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
(2-fluorophenyl) 2,3-dichloropropanoate
CID 171472839
1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one
CID 107890280
1-O-(2-fluorophenyl) 5-O-hexan-2-yl pentanedioate
CID 91709017
10-O-(2-fluorophenyl) 1-O-propyl decanedioate
CID 91736313
1-O-butyl 5-O-(2-fluorophenyl) pentanedioate
CID 91709020
1-O-(2-fluorophenyl) 3-O-propyl 2,2-diethylpropanedioate
CID 91708713

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-methylpentanoate?
The IUPAC name of (2-fluorophenyl) 2-methylpentanoate (CID 78777060) is (2-fluorophenyl) 2-methylpentanoate.
What is the SMILES notation for (2-fluorophenyl) 2-methylpentanoate?
The canonical SMILES for (2-fluorophenyl) 2-methylpentanoate is CCCC(C)C(=O)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 2-methylpentanoate?
The InChIKey is WGIVRAVBQUXMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-6-9(2)12(14)15-11-8-5-4-7-10(11)13/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of (2-fluorophenyl) 2-methylpentanoate?
(2-fluorophenyl) 2-methylpentanoate has a molecular weight of 210.25 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-methylpentanoate is sourced from PubChem (CID 78777060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).