trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

C10H15FO2 — CID 91389693

IUPACtrans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](C=C(C)F)C1(C)C
InChIInChI=1S/C10H15FO2/c1-6(11)5-7-8(9(12)13-4)10(7,2)3/h5,7-8H,1-4H3/t7-,8-/m0/s1
InChIKeyOMJMSFSCPGDSQJ-YUMQZZPRSA-N
MW186.23 g/mol
LogP2.30
Rot. Bonds2

About trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 91389693) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID91389693
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Nametrans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](C=C(C)F)C1(C)C
InChIInChI=1S/C10H15FO2/c1-6(11)5-7-8(9(12)13-4)10(7,2)3/h5,7-8H,1-4H3/t7-,8-/m0/s1
InChIKeyOMJMSFSCPGDSQJ-YUMQZZPRSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 91389693) is trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate is COC(=O)[C@@H]1[C@H](C=C(C)F)C1(C)C.
What is the InChIKey of trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is OMJMSFSCPGDSQJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H15FO2/c1-6(11)5-7-8(9(12)13-4)10(7,2)3/h5,7-8H,1-4H3/t7-,8-/m0/s1.
What are the key properties of trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate?
trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 186.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,3R)-3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 91389693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).