3,3,3-trifluoropropylcyclooctane

C11H19F3 — CID 153173633

IUPAC3,3,3-trifluoropropylcyclooctane
SMILESFC(F)(F)CCC1CCCCCCC1
InChIInChI=1S/C11H19F3/c12-11(13,14)9-8-10-6-4-2-1-3-5-7-10/h10H,1-9H2
InChIKeyDLZUANOGPHVOSU-UHFFFAOYSA-N
MW208.27 g/mol
LogP4.69
Rot. Bonds2

About 3,3,3-trifluoropropylcyclooctane

3,3,3-trifluoropropylcyclooctane (PubChem CID 153173633) has the molecular formula C11H19F3 and a molecular weight of 208.27 g/mol. Its IUPAC name is 3,3,3-trifluoropropylcyclooctane.

Molecular Properties

Compound Name3,3,3-trifluoropropylcyclooctane
PubChem CID153173633
Molecular FormulaC11H19F3
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name3,3,3-trifluoropropylcyclooctane
SMILESFC(F)(F)CCC1CCCCCCC1
InChIInChI=1S/C11H19F3/c12-11(13,14)9-8-10-6-4-2-1-3-5-7-10/h10H,1-9H2
InChIKeyDLZUANOGPHVOSU-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropylcyclooctane?
The IUPAC name of 3,3,3-trifluoropropylcyclooctane (CID 153173633) is 3,3,3-trifluoropropylcyclooctane.
What is the SMILES notation for 3,3,3-trifluoropropylcyclooctane?
The canonical SMILES for 3,3,3-trifluoropropylcyclooctane is FC(F)(F)CCC1CCCCCCC1.
What is the InChIKey of 3,3,3-trifluoropropylcyclooctane?
The InChIKey is DLZUANOGPHVOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3/c12-11(13,14)9-8-10-6-4-2-1-3-5-7-10/h10H,1-9H2.
What are the key properties of 3,3,3-trifluoropropylcyclooctane?
3,3,3-trifluoropropylcyclooctane has a molecular weight of 208.27 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropylcyclooctane is sourced from PubChem (CID 153173633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).