(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate

C11H16F2O2 — CID 58225803

IUPAC(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate
SMILESCC1C2CCC(C2)C1COC(=O)C(F)F
InChIInChI=1S/C11H16F2O2/c1-6-7-2-3-8(4-7)9(6)5-15-11(14)10(12)13/h6-10H,2-5H2,1H3
InChIKeyYFHPCYSFMMVMFD-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.48
Rot. Bonds3

About (3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate

(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate (PubChem CID 58225803) has the molecular formula C11H16F2O2 and a molecular weight of 218.24 g/mol. Its IUPAC name is (3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate.

Molecular Properties

Compound Name(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate
PubChem CID58225803
Molecular FormulaC11H16F2O2
Molecular Weight218.24 g/mol
Exact Mass218.11
IUPAC Name(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate
SMILESCC1C2CCC(C2)C1COC(=O)C(F)F
InChIInChI=1S/C11H16F2O2/c1-6-7-2-3-8(4-7)9(6)5-15-11(14)10(12)13/h6-10H,2-5H2,1H3
InChIKeyYFHPCYSFMMVMFD-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate?
The IUPAC name of (3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate (CID 58225803) is (3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate.
What is the SMILES notation for (3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate?
The canonical SMILES for (3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate is CC1C2CCC(C2)C1COC(=O)C(F)F.
What is the InChIKey of (3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate?
The InChIKey is YFHPCYSFMMVMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O2/c1-6-7-2-3-8(4-7)9(6)5-15-11(14)10(12)13/h6-10H,2-5H2,1H3.
What are the key properties of (3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate?
(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate has a molecular weight of 218.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate is sourced from PubChem (CID 58225803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).