2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C11H14F6O — CID 163726300

IUPAC2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC[C@H]1C=CC(C)(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H14F6O/c1-7-3-5-8(2,6-4-7)9(18,10(12,13)14)11(15,16)17/h3,5,7,18H,4,6H2,1-2H3/t7-,8?/m0/s1
InChIKeyKVWNDRNJBXFVQX-JAMMHHFISA-N
MW276.22 g/mol
LogP3.83
Rot. Bonds1

About 2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 163726300) has the molecular formula C11H14F6O and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID163726300
Molecular FormulaC11H14F6O
Molecular Weight276.22 g/mol
Exact Mass276.09
IUPAC Name2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC[C@H]1C=CC(C)(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H14F6O/c1-7-3-5-8(2,6-4-7)9(18,10(12,13)14)11(15,16)17/h3,5,7,18H,4,6H2,1-2H3/t7-,8?/m0/s1
InChIKeyKVWNDRNJBXFVQX-JAMMHHFISA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.83
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-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 163726300) is 2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is C[C@H]1C=CC(C)(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is KVWNDRNJBXFVQX-JAMMHHFISA-N. The full InChI is InChI=1S/C11H14F6O/c1-7-3-5-8(2,6-4-7)9(18,10(12,13)14)11(15,16)17/h3,5,7,18H,4,6H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of 2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 276.22 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1,4-dimethylcyclohex-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 163726300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).