cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate

C8H11FO2 — CID 11435080

IUPACcis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate
SMILESC=C(F)[C@@]1(C)C[C@H]1C(=O)OC
InChIInChI=1S/C8H11FO2/c1-5(9)8(2)4-6(8)7(10)11-3/h6H,1,4H2,2-3H3/t6-,8+/m0/s1
InChIKeyDQGHBBBRUTUTFM-POYBYMJQSA-N
MW158.17 g/mol
LogP1.67
Rot. Bonds2

About cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate

cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate (PubChem CID 11435080) has the molecular formula C8H11FO2 and a molecular weight of 158.17 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate
PubChem CID11435080
Molecular FormulaC8H11FO2
Molecular Weight158.17 g/mol
Exact Mass158.07
IUPAC Namecis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate
SMILESC=C(F)[C@@]1(C)C[C@H]1C(=O)OC
InChIInChI=1S/C8H11FO2/c1-5(9)8(2)4-6(8)7(10)11-3/h6H,1,4H2,2-3H3/t6-,8+/m0/s1
InChIKeyDQGHBBBRUTUTFM-POYBYMJQSA-N
XLogP1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate
CID 10909650
2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid
CID 82598117
cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate
CID 11298222
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445
cis-methyl (1S,2S)-2-ethynyl-2-methylcyclopropane-1-carboxylate
CID 12696061
methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
CID 71399973
methyl 2-methyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12951415
methyl 1,6-dimethyl-5-oxo-8-prop-1-en-2-ylbicyclo[2.2.2]octane-2-carboxylate
CID 73223651
trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate
CID 134947829
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate
CID 45089915

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate (CID 11435080) is cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate is C=C(F)[C@@]1(C)C[C@H]1C(=O)OC.
What is the InChIKey of cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate?
The InChIKey is DQGHBBBRUTUTFM-POYBYMJQSA-N. The full InChI is InChI=1S/C8H11FO2/c1-5(9)8(2)4-6(8)7(10)11-3/h6H,1,4H2,2-3H3/t6-,8+/m0/s1.
What are the key properties of cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate?
cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate has a molecular weight of 158.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 11435080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).