[(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate

C7H11FO3 — CID 126689438

IUPAC[(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate
SMILESCC(=O)OC[C@@]1(F)C[C@@H]1CO
InChIInChI=1S/C7H11FO3/c1-5(10)11-4-7(8)2-6(7)3-9/h6,9H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyTUGKFWBVXDVGOS-RQJHMYQMSA-N
MW162.16 g/mol
LogP0.27
Rot. Bonds3

About [(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate

[(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate (PubChem CID 126689438) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is [(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate.

Molecular Properties

Compound Name[(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate
PubChem CID126689438
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name[(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate
SMILESCC(=O)OC[C@@]1(F)C[C@@H]1CO
InChIInChI=1S/C7H11FO3/c1-5(10)11-4-7(8)2-6(7)3-9/h6,9H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyTUGKFWBVXDVGOS-RQJHMYQMSA-N
XLogP0.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl benzoate
CID 155905212
[8-(acetyloxymethyl)-2,2,7,7-tetrafluoro-1-tricyclo[4.3.1.13,8]undecanyl]methyl acetate
CID 167886348
[1-(acetyloxymethyl)-2,2-bis(bromomethyl)cyclopropyl]methyl acetate
CID 66996923
(1-aminocyclopropyl)methyl acetate
CID 150213578
(1-tert-butylcyclopropyl)methyl acetate
CID 89402636
[(1R)-2,2-difluorocyclopropyl]methanol
CID 7171885
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
(3-methoxy-1-adamantyl)methyl acetate
CID 118908215
(1-tert-butylcyclopentyl)methyl acetate
CID 21363579
[(3R)-1-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
CID 168973953
[(1R,3S)-2,2-difluoro-1-methyl-3-(2-oxoethyl)cyclopropyl]methyl acetate
CID 166561330
[2-hydroxy-2-(hydroxymethyl)-5,5,6b-trimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-1a-yl]methyl acetate
CID 4867541

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate?
The IUPAC name of [(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate (CID 126689438) is [(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate.
What is the SMILES notation for [(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate?
The canonical SMILES for [(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate is CC(=O)OC[C@@]1(F)C[C@@H]1CO.
What is the InChIKey of [(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate?
The InChIKey is TUGKFWBVXDVGOS-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H11FO3/c1-5(10)11-4-7(8)2-6(7)3-9/h6,9H,2-4H2,1H3/t6-,7+/m1/s1.
What are the key properties of [(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate?
[(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate has a molecular weight of 162.16 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate is sourced from PubChem (CID 126689438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).