[2-(2-methylpropyl)phenyl] 2-fluoroacetate

C12H15FO2 — CID 150064883

IUPAC[2-(2-methylpropyl)phenyl] 2-fluoroacetate
SMILESCC(C)Cc1ccccc1OC(=O)CF
InChIInChI=1S/C12H15FO2/c1-9(2)7-10-5-3-4-6-11(10)15-12(14)8-13/h3-6,9H,7-8H2,1-2H3
InChIKeyDOBLYJHJBFDSMW-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.76
Rot. Bonds4

About [2-(2-methylpropyl)phenyl] 2-fluoroacetate

[2-(2-methylpropyl)phenyl] 2-fluoroacetate (PubChem CID 150064883) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is [2-(2-methylpropyl)phenyl] 2-fluoroacetate.

Molecular Properties

Compound Name[2-(2-methylpropyl)phenyl] 2-fluoroacetate
PubChem CID150064883
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name[2-(2-methylpropyl)phenyl] 2-fluoroacetate
SMILESCC(C)Cc1ccccc1OC(=O)CF
InChIInChI=1S/C12H15FO2/c1-9(2)7-10-5-3-4-6-11(10)15-12(14)8-13/h3-6,9H,7-8H2,1-2H3
InChIKeyDOBLYJHJBFDSMW-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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

bis[2-methyl-3-(2-methylpropyl)phenyl] carbonate
CID 139767424
[2-chloro-3-(2-methylpropyl)phenyl] propanoate
CID 67822208
2-(2-methylpropyl)benzenecarboperoxoic acid
CID 87614566
[2-(2-methoxypropyl)phenyl] hydrogen carbonate
CID 90300699
(2S)-2,6-diaminohexanoic acid;[2-(2-methylpropyl)phenyl] propanoate
CID 70561676
ethyl 2-[2-(2-methylpropyl)phenyl]acetate
CID 105476130
[3-(2-methylpropyl)-2-pentanoyloxyphenyl] pentanoate
CID 90031644
1-(2-methylpropyl)-2-propoxybenzene
CID 54411248
[2-(hydroxymethyl)phenyl] propanoate
CID 57284127
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
[2-hexanoyloxy-3-(2-methylpropyl)phenyl] hexanoate
CID 90024541
[2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate
CID 90300615

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)phenyl] 2-fluoroacetate?
The IUPAC name of [2-(2-methylpropyl)phenyl] 2-fluoroacetate (CID 150064883) is [2-(2-methylpropyl)phenyl] 2-fluoroacetate.
What is the SMILES notation for [2-(2-methylpropyl)phenyl] 2-fluoroacetate?
The canonical SMILES for [2-(2-methylpropyl)phenyl] 2-fluoroacetate is CC(C)Cc1ccccc1OC(=O)CF.
What is the InChIKey of [2-(2-methylpropyl)phenyl] 2-fluoroacetate?
The InChIKey is DOBLYJHJBFDSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-9(2)7-10-5-3-4-6-11(10)15-12(14)8-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)phenyl] 2-fluoroacetate?
[2-(2-methylpropyl)phenyl] 2-fluoroacetate has a molecular weight of 210.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)phenyl] 2-fluoroacetate is sourced from PubChem (CID 150064883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).