cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane

C13H17FO2 — CID 158468057

IUPACcis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
SMILESC.CCOC(=O)[C@H]1C[C@]1(F)c1ccccc1
InChIInChI=1S/C12H13FO2.CH4/c1-2-15-11(14)10-8-12(10,13)9-6-4-3-5-7-9;/h3-7,10H,2,8H2,1H3;1H4/t10-,12+;/m1./s1
InChIKeyHFZSSWZTUWEJAA-IYJPBCIQSA-N
MW224.28 g/mol
LogP3.07
Rot. Bonds3

About cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane

cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane (PubChem CID 158468057) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
PubChem CID158468057
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Namecis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
SMILESC.CCOC(=O)[C@H]1C[C@]1(F)c1ccccc1
InChIInChI=1S/C12H13FO2.CH4/c1-2-15-11(14)10-8-12(10,13)9-6-4-3-5-7-9;/h3-7,10H,2,8H2,1H3;1H4/t10-,12+;/m1./s1
InChIKeyHFZSSWZTUWEJAA-IYJPBCIQSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101241031
CID 101241031
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ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
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2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane?
The IUPAC name of cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane (CID 158468057) is cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane.
What is the SMILES notation for cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane?
The canonical SMILES for cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane is C.CCOC(=O)[C@H]1C[C@]1(F)c1ccccc1.
What is the InChIKey of cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane?
The InChIKey is HFZSSWZTUWEJAA-IYJPBCIQSA-N. The full InChI is InChI=1S/C12H13FO2.CH4/c1-2-15-11(14)10-8-12(10,13)9-6-4-3-5-7-9;/h3-7,10H,2,8H2,1H3;1H4/t10-,12+;/m1./s1.
What are the key properties of cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane?
cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane has a molecular weight of 224.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane is sourced from PubChem (CID 158468057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).