3,3,3-trifluoroprop-1-ynylcyclohexane

C9H11F3 — CID 91536674

IUPAC3,3,3-trifluoroprop-1-ynylcyclohexane
SMILESFC(F)(F)C#CC1CCCCC1
InChIInChI=1S/C9H11F3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h8H,1-5H2
InChIKeyGFMOGBNCESEFEP-UHFFFAOYSA-N
MW176.18 g/mol
LogP3.13
Rot. Bonds

About 3,3,3-trifluoroprop-1-ynylcyclohexane

3,3,3-trifluoroprop-1-ynylcyclohexane (PubChem CID 91536674) has the molecular formula C9H11F3 and a molecular weight of 176.18 g/mol. Its IUPAC name is 3,3,3-trifluoroprop-1-ynylcyclohexane.

Molecular Properties

Compound Name3,3,3-trifluoroprop-1-ynylcyclohexane
PubChem CID91536674
Molecular FormulaC9H11F3
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name3,3,3-trifluoroprop-1-ynylcyclohexane
SMILESFC(F)(F)C#CC1CCCCC1
InChIInChI=1S/C9H11F3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h8H,1-5H2
InChIKeyGFMOGBNCESEFEP-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoroprop-1-ynylcyclohexane?
The IUPAC name of 3,3,3-trifluoroprop-1-ynylcyclohexane (CID 91536674) is 3,3,3-trifluoroprop-1-ynylcyclohexane.
What is the SMILES notation for 3,3,3-trifluoroprop-1-ynylcyclohexane?
The canonical SMILES for 3,3,3-trifluoroprop-1-ynylcyclohexane is FC(F)(F)C#CC1CCCCC1.
What is the InChIKey of 3,3,3-trifluoroprop-1-ynylcyclohexane?
The InChIKey is GFMOGBNCESEFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h8H,1-5H2.
What are the key properties of 3,3,3-trifluoroprop-1-ynylcyclohexane?
3,3,3-trifluoroprop-1-ynylcyclohexane has a molecular weight of 176.18 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 3,3,3-trifluoroprop-1-ynylcyclohexane is sourced from PubChem (CID 91536674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).