methyl 3-cyclobutyl-2-fluoropropanoate

C8H13FO2 — CID 105431407

IUPACmethyl 3-cyclobutyl-2-fluoropropanoate
SMILESCOC(=O)C(F)CC1CCC1
InChIInChI=1S/C8H13FO2/c1-11-8(10)7(9)5-6-3-2-4-6/h6-7H,2-5H2,1H3
InChIKeyZQZSFCWNIDYUHJ-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.69
Rot. Bonds3

About methyl 3-cyclobutyl-2-fluoropropanoate

methyl 3-cyclobutyl-2-fluoropropanoate (PubChem CID 105431407) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is methyl 3-cyclobutyl-2-fluoropropanoate.

Molecular Properties

Compound Namemethyl 3-cyclobutyl-2-fluoropropanoate
PubChem CID105431407
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Namemethyl 3-cyclobutyl-2-fluoropropanoate
SMILESCOC(=O)C(F)CC1CCC1
InChIInChI=1S/C8H13FO2/c1-11-8(10)7(9)5-6-3-2-4-6/h6-7H,2-5H2,1H3
InChIKeyZQZSFCWNIDYUHJ-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
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4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine
CID 158068360
methyl 2-amino-3-cyclopropylpropanoate;hydrochloride
CID 66593108
methyl 2-(cyclohexylmethyl)-3-hydroxy-3-methylbutanoate
CID 164683725
methyl 3-[[amino-(cyclobutylamino)methylidene]amino]-2-fluoropropanoate
CID 122098870
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
(2S)-3-cyclobutyl-2-fluoropropan-1-amine
CID 129375572
methyl 2-(2-cyclobutylethoxy)propanoate
CID 106199364
dimethyl 2-(cyclohexylmethyl)-4-prop-2-enylpentanedioate
CID 11098495
methyl 2-cyclobutyl-3-methylsulfanylpropanoate
CID 117245749

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclobutyl-2-fluoropropanoate?
The IUPAC name of methyl 3-cyclobutyl-2-fluoropropanoate (CID 105431407) is methyl 3-cyclobutyl-2-fluoropropanoate.
What is the SMILES notation for methyl 3-cyclobutyl-2-fluoropropanoate?
The canonical SMILES for methyl 3-cyclobutyl-2-fluoropropanoate is COC(=O)C(F)CC1CCC1.
What is the InChIKey of methyl 3-cyclobutyl-2-fluoropropanoate?
The InChIKey is ZQZSFCWNIDYUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-11-8(10)7(9)5-6-3-2-4-6/h6-7H,2-5H2,1H3.
What are the key properties of methyl 3-cyclobutyl-2-fluoropropanoate?
methyl 3-cyclobutyl-2-fluoropropanoate has a molecular weight of 160.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclobutyl-2-fluoropropanoate is sourced from PubChem (CID 105431407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).