2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate

C10H15FO2 — CID 90941911

IUPAC2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate
SMILESCC(F)C(=O)OC1CC2CCC1C2
InChIInChI=1S/C10H15FO2/c1-6(11)10(12)13-9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3
InChIKeyHZDQOMOMPVYUMX-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.08
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate

2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate (PubChem CID 90941911) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate
PubChem CID90941911
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate
SMILESCC(F)C(=O)OC1CC2CCC1C2
InChIInChI=1S/C10H15FO2/c1-6(11)10(12)13-9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3
InChIKeyHZDQOMOMPVYUMX-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Norbornyl acetate
CID 101199
Acetic acid, trifluoro-, bicyclo[2.2.1]hept-2-yl ester
CID 548727
(5-Fluoro-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
CID 71270954
Bicyclo[2.2.1]heptan-2-ol, 1-methyl-, acetate
CID 572634
(+/-)-Exo-2-norbornyl butyrate
CID 10397441
Exo-2-acetoxynorbornane
CID 12594113
Diacetoxynorbornane
CID 140212
5-Acetoxy-7-fluoronorbornan-2-one
CID 73999208
(3-Trimethylsilyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
CID 155933750
7-Norbornyl acetate
CID 13736243
(r)-Exo-2-norbornyl butyrate
CID 13919347
(r)-(+)-Endo-2-norbornyl acetate
CID 98052897

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate (CID 90941911) is 2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate is CC(F)C(=O)OC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate?
The InChIKey is HZDQOMOMPVYUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO2/c1-6(11)10(12)13-9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate?
2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate has a molecular weight of 186.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl 2-fluoropropanoate is sourced from PubChem (CID 90941911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).