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

C10H14F2O2 — CID 58225704

IUPAC2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate
SMILESO=C(OCC1CC2CCC1C2)C(F)F
InChIInChI=1S/C10H14F2O2/c11-9(12)10(13)14-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2
InChIKeyMZQUHAWICCKKTQ-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.23
Rot. Bonds3

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

2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate (PubChem CID 58225704) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate
PubChem CID58225704
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate
SMILESO=C(OCC1CC2CCC1C2)C(F)F
InChIInChI=1S/C10H14F2O2/c11-9(12)10(13)14-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2
InChIKeyMZQUHAWICCKKTQ-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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, trifluoroacetate
CID 91704355
Bicyclo[2.2.1]heptane-2-methanol, 2-acetate
CID 103733
(5-Fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
CID 138974184
(6-Fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
CID 138975026
(3-Methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
CID 281972
3-(2-Bicyclo[2.2.1]heptanyl)propyl acetate
CID 57959345
Trifluoroacetyl-camphenilol
CID 578869
ethyl 4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-difluorobutanoate
CID 23237320
1-(3-Methylbicyclo[2.2.1]hept-2-YL)propyl acetate
CID 44147543

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate?
The IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate (CID 58225704) is 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate is O=C(OCC1CC2CCC1C2)C(F)F.
What is the InChIKey of 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate?
The InChIKey is MZQUHAWICCKKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O2/c11-9(12)10(13)14-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2.
What are the key properties of 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate?
2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoroacetate has a molecular weight of 204.22 g/mol, XLogP of 2.23, 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-difluoroacetate is sourced from PubChem (CID 58225704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).