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

C11H17FO2 — CID 138974184

IUPAC(5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
SMILESCC(=O)OCC1C2CC(F)C(C2)C1C
InChIInChI=1S/C11H17FO2/c1-6-9-3-8(4-11(9)12)10(6)5-14-7(2)13/h6,8-11H,3-5H2,1-2H3
InChIKeyWUQJTIGYPPQYSP-UHFFFAOYSA-N
MW200.25 g/mol
LogP2.18
Rot. Bonds2

About (5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate

(5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate (PubChem CID 138974184) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is (5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate.

Molecular Properties

Compound Name(5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
PubChem CID138974184
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Name(5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
SMILESCC(=O)OCC1C2CC(F)C(C2)C1C
InChIInChI=1S/C11H17FO2/c1-6-9-3-8(4-11(9)12)10(6)5-14-7(2)13/h6,8-11H,3-5H2,1-2H3
InChIKeyWUQJTIGYPPQYSP-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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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate?
The IUPAC name of (5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate (CID 138974184) is (5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate.
What is the SMILES notation for (5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate?
The canonical SMILES for (5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate is CC(=O)OCC1C2CC(F)C(C2)C1C.
What is the InChIKey of (5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate?
The InChIKey is WUQJTIGYPPQYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO2/c1-6-9-3-8(4-11(9)12)10(6)5-14-7(2)13/h6,8-11H,3-5H2,1-2H3.
What are the key properties of (5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate?
(5-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 (5-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate is sourced from PubChem (CID 138974184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).