methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate

C10H15FO2 — CID 174667169

IUPACmethyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate
SMILESC=C(F)C(C)(C)C1CC1C(=O)OC
InChIInChI=1S/C10H15FO2/c1-6(11)10(2,3)8-5-7(8)9(12)13-4/h7-8H,1,5H2,2-4H3
InChIKeyQFIQXDLSJIKJMA-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.30
Rot. Bonds3

About methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate

methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate (PubChem CID 174667169) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate
PubChem CID174667169
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Namemethyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate
SMILESC=C(F)C(C)(C)C1CC1C(=O)OC
InChIInChI=1S/C10H15FO2/c1-6(11)10(2,3)8-5-7(8)9(12)13-4/h7-8H,1,5H2,2-4H3
InChIKeyQFIQXDLSJIKJMA-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate (CID 174667169) is methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate is C=C(F)C(C)(C)C1CC1C(=O)OC.
What is the InChIKey of methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate?
The InChIKey is QFIQXDLSJIKJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO2/c1-6(11)10(2,3)8-5-7(8)9(12)13-4/h7-8H,1,5H2,2-4H3.
What are the key properties of methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate?
methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate has a molecular weight of 186.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-2-methylbut-3-en-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 174667169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).