2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H10F6O — CID 87065331

IUPAC2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CC=CCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-2,6,16H,3-5H2
InChIKeyJEVYYIVXGDPNAW-UHFFFAOYSA-N
MW248.17 g/mol
LogP3.20
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol

2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 87065331) has the molecular formula C9H10F6O and a molecular weight of 248.17 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID87065331
Molecular FormulaC9H10F6O
Molecular Weight248.17 g/mol
Exact Mass248.06
IUPAC Name2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CC=CCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-2,6,16H,3-5H2
InChIKeyJEVYYIVXGDPNAW-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 87065331) is 2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1CC=CCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is JEVYYIVXGDPNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-2,6,16H,3-5H2.
What are the key properties of 2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 248.17 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 87065331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).