1-(trifluoromethyl)bicyclo[4.1.0]heptane

C8H11F3 — CID 122381426

IUPAC1-(trifluoromethyl)bicyclo[4.1.0]heptane
SMILESFC(F)(F)C12CCCCC1C2
InChIInChI=1S/C8H11F3/c9-8(10,11)7-4-2-1-3-6(7)5-7/h6H,1-5H2
InChIKeyZKUQGDKCTOJPHJ-UHFFFAOYSA-N
MW164.17 g/mol
LogP3.13
Rot. Bonds

About 1-(trifluoromethyl)bicyclo[4.1.0]heptane

1-(trifluoromethyl)bicyclo[4.1.0]heptane (PubChem CID 122381426) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-(trifluoromethyl)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-(trifluoromethyl)bicyclo[4.1.0]heptane
PubChem CID122381426
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-(trifluoromethyl)bicyclo[4.1.0]heptane
SMILESFC(F)(F)C12CCCCC1C2
InChIInChI=1S/C8H11F3/c9-8(10,11)7-4-2-1-3-6(7)5-7/h6H,1-5H2
InChIKeyZKUQGDKCTOJPHJ-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)bicyclo[4.1.0]heptane?
The IUPAC name of 1-(trifluoromethyl)bicyclo[4.1.0]heptane (CID 122381426) is 1-(trifluoromethyl)bicyclo[4.1.0]heptane.
What is the SMILES notation for 1-(trifluoromethyl)bicyclo[4.1.0]heptane?
The canonical SMILES for 1-(trifluoromethyl)bicyclo[4.1.0]heptane is FC(F)(F)C12CCCCC1C2.
What is the InChIKey of 1-(trifluoromethyl)bicyclo[4.1.0]heptane?
The InChIKey is ZKUQGDKCTOJPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3/c9-8(10,11)7-4-2-1-3-6(7)5-7/h6H,1-5H2.
What are the key properties of 1-(trifluoromethyl)bicyclo[4.1.0]heptane?
1-(trifluoromethyl)bicyclo[4.1.0]heptane has a molecular weight of 164.17 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)bicyclo[4.1.0]heptane is sourced from PubChem (CID 122381426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).