(6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate

C11H17FO2 — CID 138975026

IUPAC(6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
SMILESCC(=O)OCC1C(C)C2CC(F)C1C2
InChIInChI=1S/C11H17FO2/c1-6-8-3-9(11(12)4-8)10(6)5-14-7(2)13/h6,8-11H,3-5H2,1-2H3
InChIKeyQZLIFKZKGZEZGM-UHFFFAOYSA-N
MW200.25 g/mol
LogP2.18
Rot. Bonds2

About (6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate

(6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate (PubChem CID 138975026) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is (6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate.

Molecular Properties

Compound Name(6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
PubChem CID138975026
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Name(6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
SMILESCC(=O)OCC1C(C)C2CC(F)C1C2
InChIInChI=1S/C11H17FO2/c1-6-8-3-9(11(12)4-8)10(6)5-14-7(2)13/h6,8-11H,3-5H2,1-2H3
InChIKeyQZLIFKZKGZEZGM-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate
CID 126489359
[(2S,3R,6R,7R,9S,10R)-10-(acetyloxymethyl)-9-pentacyclo[4.4.0.02,4.03,8.05,7]decanyl]methyl acetate
CID 100895939
[(4R,5R)-5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157593
[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157591
[(1R,4R)-6-[(1S,4S)-5-(acetyloxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-5-methyl-2-bicyclo[2.2.1]heptanyl]methoxymethanesulfonic acid
CID 88999316
[(1R,4S)-6-[(1R,4S)-5-(acetyloxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-5-methyl-2-bicyclo[2.2.1]heptanyl]methoxymethanesulfonic acid
CID 59594974
(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate
CID 58225803
(3-acetyloxy-4,5,6-trimethyloxan-2-yl)methyl acetate
CID 70208070
[(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate
CID 121494090
[(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate
CID 10038273
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411
[(1R,2R,3R,4R,6R)-5-oxo-3-tricyclo[2.2.1.02,6]heptanyl]methyl acetate
CID 125032825

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate?
The IUPAC name of (6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate (CID 138975026) is (6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate.
What is the SMILES notation for (6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate?
The canonical SMILES for (6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate is CC(=O)OCC1C(C)C2CC(F)C1C2.
What is the InChIKey of (6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate?
The InChIKey is QZLIFKZKGZEZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO2/c1-6-8-3-9(11(12)4-8)10(6)5-14-7(2)13/h6,8-11H,3-5H2,1-2H3.
What are the key properties of (6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate?
(6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate has a molecular weight of 200.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate is sourced from PubChem (CID 138975026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).