trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol

C11H19FO2 — CID 59878810

IUPACtrans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol
SMILESCC[C@H]1C(F)CC(O)[C@@H]1C/C=C\OC
InChIInChI=1S/C11H19FO2/c1-3-8-9(5-4-6-14-2)11(13)7-10(8)12/h4,6,8-11,13H,3,5,7H2,1-2H3/b6-4-/t8-,9-,10?,11?/m1/s1
InChIKeyPSCMGVVZVWOCIN-VLYQRTJVSA-N
MW202.27 g/mol
LogP2.28
Rot. Bonds4

About trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol

trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol (PubChem CID 59878810) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol
PubChem CID59878810
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Nametrans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol
SMILESCC[C@H]1C(F)CC(O)[C@@H]1C/C=C\OC
InChIInChI=1S/C11H19FO2/c1-3-8-9(5-4-6-14-2)11(13)7-10(8)12/h4,6,8-11,13H,3,5,7H2,1-2H3/b6-4-/t8-,9-,10?,11?/m1/s1
InChIKeyPSCMGVVZVWOCIN-VLYQRTJVSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol?
The IUPAC name of trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol (CID 59878810) is trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol?
The canonical SMILES for trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol is CC[C@H]1C(F)CC(O)[C@@H]1C/C=C\OC.
What is the InChIKey of trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol?
The InChIKey is PSCMGVVZVWOCIN-VLYQRTJVSA-N. The full InChI is InChI=1S/C11H19FO2/c1-3-8-9(5-4-6-14-2)11(13)7-10(8)12/h4,6,8-11,13H,3,5,7H2,1-2H3/b6-4-/t8-,9-,10?,11?/m1/s1.
What are the key properties of trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol?
trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol has a molecular weight of 202.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-3-methoxyprop-2-enyl]cyclopentan-1-ol is sourced from PubChem (CID 59878810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).