tert-butyl 2-fluoropropanoate

C7H13FO2 — CID 91554233

IUPACtert-butyl 2-fluoropropanoate
SMILESCC(F)C(=O)OC(C)(C)C
InChIInChI=1S/C7H13FO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3
InChIKeyWALVVYMQUOKDJZ-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.69
Rot. Bonds1

About tert-butyl 2-fluoropropanoate

tert-butyl 2-fluoropropanoate (PubChem CID 91554233) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is tert-butyl 2-fluoropropanoate.

Molecular Properties

Compound Nametert-butyl 2-fluoropropanoate
PubChem CID91554233
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Nametert-butyl 2-fluoropropanoate
SMILESCC(F)C(=O)OC(C)(C)C
InChIInChI=1S/C7H13FO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3
InChIKeyWALVVYMQUOKDJZ-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
trifluoromethyl 2-fluoropropanoate
CID 126635608
tert-butyl (2S)-2-bromopropanoate
CID 12882378
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
tert-butyl 3,3-diamino-2-methylpropanoate
CID 18761797
2-fluoropropanoyl 2-fluoropropanoate
CID 57174610
tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate
CID 23234210
[(2S,3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]azanium
CID 7009962
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639
ditert-butyl 2-(1-bromoethyl)propanedioate
CID 175061152
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate
CID 66337083

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-fluoropropanoate?
The IUPAC name of tert-butyl 2-fluoropropanoate (CID 91554233) is tert-butyl 2-fluoropropanoate.
What is the SMILES notation for tert-butyl 2-fluoropropanoate?
The canonical SMILES for tert-butyl 2-fluoropropanoate is CC(F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-fluoropropanoate?
The InChIKey is WALVVYMQUOKDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3.
What are the key properties of tert-butyl 2-fluoropropanoate?
tert-butyl 2-fluoropropanoate has a molecular weight of 148.18 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-fluoropropanoate is sourced from PubChem (CID 91554233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).