2-methylpropyl 3-fluoropropanoate

C7H13FO2 — CID 140916120

IUPAC2-methylpropyl 3-fluoropropanoate
SMILESCC(C)COC(=O)CCF
InChIInChI=1S/C7H13FO2/c1-6(2)5-10-7(9)3-4-8/h6H,3-5H2,1-2H3
InChIKeyOOKSDDORYYFFRT-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.55
Rot. Bonds4

About 2-methylpropyl 3-fluoropropanoate

2-methylpropyl 3-fluoropropanoate (PubChem CID 140916120) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-methylpropyl 3-fluoropropanoate.

Molecular Properties

Compound Name2-methylpropyl 3-fluoropropanoate
PubChem CID140916120
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name2-methylpropyl 3-fluoropropanoate
SMILESCC(C)COC(=O)CCF
InChIInChI=1S/C7H13FO2/c1-6(2)5-10-7(9)3-4-8/h6H,3-5H2,1-2H3
InChIKeyOOKSDDORYYFFRT-UHFFFAOYSA-N
XLogP1.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-methylpropyl) butanedioate;prop-1-ene
CID 159366466
4-O-(2-ethylbutyl) 1-O-(2-methylpropyl) butanedioate
CID 91701587
(2S)-2-methyl-5-(2-methylpropoxy)-5-oxopentanoic acid
CID 10856553
1-O-(2-methylpropyl) 4-O-(2,2,2-trichloroethyl) butanedioate
CID 91701519
10-O-(2-chloropropyl) 1-O-(2-methylpropyl) decanedioate
CID 91739454
2-methylpropyl 5-methoxypentanoate
CID 134561762
2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate
CID 54481908
2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 121469854
6-O-(2,4-dimethylpentan-3-yl) 1-O-(2-methylpropyl) hexanedioate
CID 91713820
2-methylpropyl 3-(2-ethyl-3,4,5,6-tetrafluorophenyl)propanoate
CID 138702503
2-methylpropyl 3-[2-[3-(2-methylpropoxy)-3-oxopropyl]phenyl]propanoate
CID 146794559
4-O-(2-methylpropyl) 1-O-octyl butanedioate
CID 91701618

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-fluoropropanoate?
The IUPAC name of 2-methylpropyl 3-fluoropropanoate (CID 140916120) is 2-methylpropyl 3-fluoropropanoate.
What is the SMILES notation for 2-methylpropyl 3-fluoropropanoate?
The canonical SMILES for 2-methylpropyl 3-fluoropropanoate is CC(C)COC(=O)CCF.
What is the InChIKey of 2-methylpropyl 3-fluoropropanoate?
The InChIKey is OOKSDDORYYFFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-6(2)5-10-7(9)3-4-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-methylpropyl 3-fluoropropanoate?
2-methylpropyl 3-fluoropropanoate has a molecular weight of 148.18 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-fluoropropanoate is sourced from PubChem (CID 140916120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).