cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate

C6H9FO2 — CID 122227702

IUPACcis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H]1CF
InChIInChI=1S/C6H9FO2/c1-9-6(8)5-2-4(5)3-7/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyLQOVRIVDONNYLT-CRCLSJGQSA-N
MW132.13 g/mol
LogP0.76
Rot. Bonds2

About cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate

cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate (PubChem CID 122227702) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate
PubChem CID122227702
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Namecis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H]1CF
InChIInChI=1S/C6H9FO2/c1-9-6(8)5-2-4(5)3-7/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyLQOVRIVDONNYLT-CRCLSJGQSA-N
XLogP0.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate (CID 122227702) is cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@H]1CF.
What is the InChIKey of cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate?
The InChIKey is LQOVRIVDONNYLT-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H9FO2/c1-9-6(8)5-2-4(5)3-7/h4-5H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate?
cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate has a molecular weight of 132.13 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 122227702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).