3,3,3-trifluoroprop-1-en-2-yloxycyclohexane

C9H13F3O — CID 135060956

IUPAC3,3,3-trifluoroprop-1-en-2-yloxycyclohexane
SMILESC=C(OC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H13F3O/c1-7(9(10,11)12)13-8-5-3-2-4-6-8/h8H,1-6H2
InChIKeyGNOQOKLPWKOSOG-UHFFFAOYSA-N
MW194.20 g/mol
LogP3.41
Rot. Bonds2

About 3,3,3-trifluoroprop-1-en-2-yloxycyclohexane

3,3,3-trifluoroprop-1-en-2-yloxycyclohexane (PubChem CID 135060956) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 3,3,3-trifluoroprop-1-en-2-yloxycyclohexane.

Molecular Properties

Compound Name3,3,3-trifluoroprop-1-en-2-yloxycyclohexane
PubChem CID135060956
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name3,3,3-trifluoroprop-1-en-2-yloxycyclohexane
SMILESC=C(OC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H13F3O/c1-7(9(10,11)12)13-8-5-3-2-4-6-8/h8H,1-6H2
InChIKeyGNOQOKLPWKOSOG-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoroprop-1-en-2-yloxycyclohexane?
The IUPAC name of 3,3,3-trifluoroprop-1-en-2-yloxycyclohexane (CID 135060956) is 3,3,3-trifluoroprop-1-en-2-yloxycyclohexane.
What is the SMILES notation for 3,3,3-trifluoroprop-1-en-2-yloxycyclohexane?
The canonical SMILES for 3,3,3-trifluoroprop-1-en-2-yloxycyclohexane is C=C(OC1CCCCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoroprop-1-en-2-yloxycyclohexane?
The InChIKey is GNOQOKLPWKOSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c1-7(9(10,11)12)13-8-5-3-2-4-6-8/h8H,1-6H2.
What are the key properties of 3,3,3-trifluoroprop-1-en-2-yloxycyclohexane?
3,3,3-trifluoroprop-1-en-2-yloxycyclohexane has a molecular weight of 194.20 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoroprop-1-en-2-yloxycyclohexane is sourced from PubChem (CID 135060956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).