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

C9H13FO2 — CID 11206041

IUPACtrans-methyl (1R,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+/m1/s1
InChIKeyMJVYUFJWEBLTQD-MUWHJKNJSA-N
MW172.20 g/mol
LogP1.69
Rot. Bonds2

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

trans-methyl (1R,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate (PubChem CID 11206041) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is trans-methyl (1R,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate
PubChem CID11206041
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Nametrans-methyl (1R,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+/m1/s1
InChIKeyMJVYUFJWEBLTQD-MUWHJKNJSA-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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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate (CID 11206041) is trans-methyl (1R,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,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 trans-methyl (1R,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate?
The InChIKey is MJVYUFJWEBLTQD-MUWHJKNJSA-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+/m1/s1.
What are the key properties of trans-methyl (1R,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate?
trans-methyl (1R,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 trans-methyl (1R,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 11206041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).