propan-2-yl 2-fluoroacetate

C5H9FO2 — CID 9839

IUPACpropan-2-yl 2-fluoroacetate
SMILESCC(C)OC(=O)CF
InChIInChI=1S/C5H9FO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
InChIKeyHERCSPPGAAQXBN-UHFFFAOYSA-N
MW120.12 g/mol
LogP0.91
Rot. Bonds2

About propan-2-yl 2-fluoroacetate

propan-2-yl 2-fluoroacetate (PubChem CID 9839) has the molecular formula C5H9FO2 and a molecular weight of 120.12 g/mol. Its IUPAC name is propan-2-yl 2-fluoroacetate.

Molecular Properties

Compound Namepropan-2-yl 2-fluoroacetate
PubChem CID9839
Molecular FormulaC5H9FO2
Molecular Weight120.12 g/mol
Exact Mass120.06
IUPAC Namepropan-2-yl 2-fluoroacetate
SMILESCC(C)OC(=O)CF
InChIInChI=1S/C5H9FO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
InChIKeyHERCSPPGAAQXBN-UHFFFAOYSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isopropyl Acetate
CID 7915
Propylene glycol methyl ether acetate
CID 7946
Sec-Butyl acetate
CID 7758
2-Pentyl acetate
CID 12278
Isopropyl propionate
CID 12508
2-Propanol, 1-ethoxy-, 2-acetate
CID 171378
3-Methoxybutyl acetate
CID 20498
1-Propanol, 2-methoxy-, 1-acetate
CID 51132
Ethyl 2-Fluoropropionate
CID 265947
3-Pentyl acetate
CID 69279
Isopropyl trifluoroacetate
CID 78998
Propanoic acid, 1-methylpropyl ester
CID 136376

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-fluoroacetate?
The IUPAC name of propan-2-yl 2-fluoroacetate (CID 9839) is propan-2-yl 2-fluoroacetate.
What is the SMILES notation for propan-2-yl 2-fluoroacetate?
The canonical SMILES for propan-2-yl 2-fluoroacetate is CC(C)OC(=O)CF.
What is the InChIKey of propan-2-yl 2-fluoroacetate?
The InChIKey is HERCSPPGAAQXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3.
What are the key properties of propan-2-yl 2-fluoroacetate?
propan-2-yl 2-fluoroacetate has a molecular weight of 120.12 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-fluoroacetate is sourced from PubChem (CID 9839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).