trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane

C13H25FO — CID 139565017

IUPACtrans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane
SMILESCCCCC(CCC)[C@H]1C[C@]1(F)COC
InChIInChI=1S/C13H25FO/c1-4-6-8-11(7-5-2)12-9-13(12,14)10-15-3/h11-12H,4-10H2,1-3H3/t11?,12-,13+/m1/s1
InChIKeyBHWYAOZCACPYHU-HDYSRYHKSA-N
MW216.34 g/mol
LogP3.97
Rot. Bonds8

About trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane

trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane (PubChem CID 139565017) has the molecular formula C13H25FO and a molecular weight of 216.34 g/mol. Its IUPAC name is trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane
PubChem CID139565017
Molecular FormulaC13H25FO
Molecular Weight216.34 g/mol
Exact Mass216.19
IUPAC Nametrans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane
SMILESCCCCC(CCC)[C@H]1C[C@]1(F)COC
InChIInChI=1S/C13H25FO/c1-4-6-8-11(7-5-2)12-9-13(12,14)10-15-3/h11-12H,4-10H2,1-3H3/t11?,12-,13+/m1/s1
InChIKeyBHWYAOZCACPYHU-HDYSRYHKSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane 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-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane?
The IUPAC name of trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane (CID 139565017) is trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane?
The canonical SMILES for trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane is CCCCC(CCC)[C@H]1C[C@]1(F)COC.
What is the InChIKey of trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane?
The InChIKey is BHWYAOZCACPYHU-HDYSRYHKSA-N. The full InChI is InChI=1S/C13H25FO/c1-4-6-8-11(7-5-2)12-9-13(12,14)10-15-3/h11-12H,4-10H2,1-3H3/t11?,12-,13+/m1/s1.
What are the key properties of trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane?
trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane has a molecular weight of 216.34 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-fluoro-1-(methoxymethyl)-2-octan-4-ylcyclopropane is sourced from PubChem (CID 139565017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).