2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate

C11H16F2O2 — CID 59602524

IUPAC2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC1CC2CCC1C2
InChIInChI=1S/C11H16F2O2/c1-11(12,13)10(14)15-6-9-5-7-2-3-8(9)4-7/h7-9H,2-6H2,1H3
InChIKeyCIVXVGOCSCLYMD-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.62
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate

2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate (PubChem CID 59602524) has the molecular formula C11H16F2O2 and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate
PubChem CID59602524
Molecular FormulaC11H16F2O2
Molecular Weight218.24 g/mol
Exact Mass218.11
IUPAC Name2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC1CC2CCC1C2
InChIInChI=1S/C11H16F2O2/c1-11(12,13)10(14)15-6-9-5-7-2-3-8(9)4-7/h7-9H,2-6H2,1H3
InChIKeyCIVXVGOCSCLYMD-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl bicyclo(2.2.1)heptane-2-carboxylate
CID 108540
Bicyclo[2.2.1]heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-, 2-acetate
CID 86115
Ethyl bicyclo[2.2.1]hept-2-ylacetate
CID 15312317
Ethyl 2,5-endomethylenecyclohexanecarboxylate
CID 21118411
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl propanoate
CID 44448309
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl acetate
CID 44448328
2-Norbornanemethanol, heptafluorobutyrate
CID 91694396
2-Norbornanemethanol, pentafluoropropionate
CID 91694397
(-)-Isolongifolol, heptafluorobutyrate
CID 91704353
(-)-Isolongifolol, pentafluoropropionate
CID 91704354
(-)-Isolongifolol, trifluoroacetate
CID 91704355
Bicyclo[2.2.1]heptane-2-methanol, 2-acetate
CID 103733

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate?
The IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate (CID 59602524) is 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate?
The InChIKey is CIVXVGOCSCLYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O2/c1-11(12,13)10(14)15-6-9-5-7-2-3-8(9)4-7/h7-9H,2-6H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate?
2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate has a molecular weight of 218.24 g/mol, XLogP of 2.62, 3 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]heptanylmethyl 2,2-difluoropropanoate is sourced from PubChem (CID 59602524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).