cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate

C9H13FO2 — CID 11298222

IUPACcis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@]1(F)C1(C)CC1
InChIInChI=1S/C9H13FO2/c1-8(3-4-8)9(10)5-6(9)7(11)12-2/h6H,3-5H2,1-2H3/t6-,9-/m0/s1
InChIKeyMJVYUFJWEBLTQD-RCOVLWMOSA-N
MW172.20 g/mol
LogP1.69
Rot. Bonds2

About cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate

cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate (PubChem CID 11298222) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate
PubChem CID11298222
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Namecis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@]1(F)C1(C)CC1
InChIInChI=1S/C9H13FO2/c1-8(3-4-8)9(10)5-6(9)7(11)12-2/h6H,3-5H2,1-2H3/t6-,9-/m0/s1
InChIKeyMJVYUFJWEBLTQD-RCOVLWMOSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate
CID 11435080
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445
methyl (1S,2R,4R)-1,4-dimethyl-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 130969152
trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate
CID 10909650
cis-methyl (1S,2S)-2-ethynyl-2-methylcyclopropane-1-carboxylate
CID 12696061
cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate
CID 10986985
methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
CID 58476988
methyl 2-methyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12951415
methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate
CID 139120592
methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate
CID 124705910

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate (CID 11298222) is cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@@]1(F)C1(C)CC1.
What is the InChIKey of cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate?
The InChIKey is MJVYUFJWEBLTQD-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H13FO2/c1-8(3-4-8)9(10)5-6(9)7(11)12-2/h6H,3-5H2,1-2H3/t6-,9-/m0/s1.
What are the key properties of cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate?
cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate has a molecular weight of 172.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 11298222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).