(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate

C9H11F3O2 — CID 21053469

IUPAC(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate
SMILESCC(=O)OC1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C9H11F3O2/c1-5(13)14-9(12)7-3-2-6(4-7)8(9,10)11/h6-7H,2-4H2,1H3
InChIKeyKYZYDPNAGXXBFX-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.28
Rot. Bonds1

About (2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate

(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate (PubChem CID 21053469) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is (2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate.

Molecular Properties

Compound Name(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate
PubChem CID21053469
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate
SMILESCC(=O)OC1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C9H11F3O2/c1-5(13)14-9(12)7-3-2-6(4-7)8(9,10)11/h6-7H,2-4H2,1H3
InChIKeyKYZYDPNAGXXBFX-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate?
The IUPAC name of (2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate (CID 21053469) is (2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate.
What is the SMILES notation for (2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate?
The canonical SMILES for (2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate is CC(=O)OC1(F)C2CCC(C2)C1(F)F.
What is the InChIKey of (2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate?
The InChIKey is KYZYDPNAGXXBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c1-5(13)14-9(12)7-3-2-6(4-7)8(9,10)11/h6-7H,2-4H2,1H3.
What are the key properties of (2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate?
(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate has a molecular weight of 208.18 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl) acetate is sourced from PubChem (CID 21053469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).