2,3,3-trifluoroprop-2-enylcyclohexane

C9H13F3 — CID 58491224

IUPAC2,3,3-trifluoroprop-2-enylcyclohexane
SMILESFC(F)=C(F)CC1CCCCC1
InChIInChI=1S/C9H13F3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyUUUBGGWNJSTMOV-UHFFFAOYSA-N
MW178.20 g/mol
LogP4.03
Rot. Bonds2

About 2,3,3-trifluoroprop-2-enylcyclohexane

2,3,3-trifluoroprop-2-enylcyclohexane (PubChem CID 58491224) has the molecular formula C9H13F3 and a molecular weight of 178.20 g/mol. Its IUPAC name is 2,3,3-trifluoroprop-2-enylcyclohexane.

Molecular Properties

Compound Name2,3,3-trifluoroprop-2-enylcyclohexane
PubChem CID58491224
Molecular FormulaC9H13F3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name2,3,3-trifluoroprop-2-enylcyclohexane
SMILESFC(F)=C(F)CC1CCCCC1
InChIInChI=1S/C9H13F3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyUUUBGGWNJSTMOV-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoroprop-2-enylcyclohexane?
The IUPAC name of 2,3,3-trifluoroprop-2-enylcyclohexane (CID 58491224) is 2,3,3-trifluoroprop-2-enylcyclohexane.
What is the SMILES notation for 2,3,3-trifluoroprop-2-enylcyclohexane?
The canonical SMILES for 2,3,3-trifluoroprop-2-enylcyclohexane is FC(F)=C(F)CC1CCCCC1.
What is the InChIKey of 2,3,3-trifluoroprop-2-enylcyclohexane?
The InChIKey is UUUBGGWNJSTMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 2,3,3-trifluoroprop-2-enylcyclohexane?
2,3,3-trifluoroprop-2-enylcyclohexane has a molecular weight of 178.20 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoroprop-2-enylcyclohexane is sourced from PubChem (CID 58491224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).