trifluoromethylcyclooctane

C9H15F3 — CID 90689410

IUPACtrifluoromethylcyclooctane
SMILESFC(F)(F)C1CCCCCCC1
InChIInChI=1S/C9H15F3/c10-9(11,12)8-6-4-2-1-3-5-7-8/h8H,1-7H2
InChIKeyMZXAEWBXDHFMFZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP3.91
Rot. Bonds

About trifluoromethylcyclooctane

trifluoromethylcyclooctane (PubChem CID 90689410) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is trifluoromethylcyclooctane.

Molecular Properties

Compound Nametrifluoromethylcyclooctane
PubChem CID90689410
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Nametrifluoromethylcyclooctane
SMILESFC(F)(F)C1CCCCCCC1
InChIInChI=1S/C9H15F3/c10-9(11,12)8-6-4-2-1-3-5-7-8/h8H,1-7H2
InChIKeyMZXAEWBXDHFMFZ-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trifluoromethylcyclooctane?
The IUPAC name of trifluoromethylcyclooctane (CID 90689410) is trifluoromethylcyclooctane.
What is the SMILES notation for trifluoromethylcyclooctane?
The canonical SMILES for trifluoromethylcyclooctane is FC(F)(F)C1CCCCCCC1.
What is the InChIKey of trifluoromethylcyclooctane?
The InChIKey is MZXAEWBXDHFMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3/c10-9(11,12)8-6-4-2-1-3-5-7-8/h8H,1-7H2.
What are the key properties of trifluoromethylcyclooctane?
trifluoromethylcyclooctane has a molecular weight of 180.21 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylcyclooctane is sourced from PubChem (CID 90689410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).