methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate

C10H15FO3 — CID 158149649

IUPACmethyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate
SMILESC=CC[C@@]1(F)[C@H](O)CC[C@@H]1C(=O)OC
InChIInChI=1S/C10H15FO3/c1-3-6-10(11)7(9(13)14-2)4-5-8(10)12/h3,7-8,12H,1,4-6H2,2H3/t7-,8-,10+/m1/s1
InChIKeyDXUCSYVOUCFHRS-MRTMQBJTSA-N
MW202.22 g/mol
LogP1.21
Rot. Bonds3

About methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate

methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate (PubChem CID 158149649) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate
PubChem CID158149649
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Namemethyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate
SMILESC=CC[C@@]1(F)[C@H](O)CC[C@@H]1C(=O)OC
InChIInChI=1S/C10H15FO3/c1-3-6-10(11)7(9(13)14-2)4-5-8(10)12/h3,7-8,12H,1,4-6H2,2H3/t7-,8-,10+/m1/s1
InChIKeyDXUCSYVOUCFHRS-MRTMQBJTSA-N
XLogP1.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate with MolForge

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Related Compounds

Cucurbic acid
CID 6123064
(+)-Cucurbic acid
CID 5281159
Methyl cucurbate
CID 11009664
methyl 2-[(1R,2R,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 14037104
Methyl-6-epi-cucurbate
CID 11107054
methyl 2-[(1R,2R,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 11195486
(E)-2-(3-Hydroxy-2-(pent-2-en-1-yl)cyclopentyl)acetic acid
CID 441565
7-Iso-cucurbic acid
CID 14262447
2-[(1R,2R,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 14262445
2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid
CID 86310507
2-[(1S,2S,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 92975784
methyl (1R,2S,3R,5R)-3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 131177950

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate (CID 158149649) is methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate is C=CC[C@@]1(F)[C@H](O)CC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate?
The InChIKey is DXUCSYVOUCFHRS-MRTMQBJTSA-N. The full InChI is InChI=1S/C10H15FO3/c1-3-6-10(11)7(9(13)14-2)4-5-8(10)12/h3,7-8,12H,1,4-6H2,2H3/t7-,8-,10+/m1/s1.
What are the key properties of methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate?
methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate has a molecular weight of 202.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,3R)-2-fluoro-3-hydroxy-2-prop-2-enylcyclopentane-1-carboxylate is sourced from PubChem (CID 158149649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).