(Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol

C12H19F3O — CID 134957805

IUPAC(Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol
SMILESC/C=C\C[C@@](O)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H19F3O/c1-2-3-9-11(16,12(13,14)15)10-7-5-4-6-8-10/h2-3,10,16H,4-9H2,1H3/b3-2-/t11-/m1/s1
InChIKeyXZLUKKLSTNCYIV-OTDNITJGSA-N
MW236.28 g/mol
LogP3.83
Rot. Bonds3

About (Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol

(Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol (PubChem CID 134957805) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is (Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol.

Molecular Properties

Compound Name(Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol
PubChem CID134957805
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name(Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol
SMILESC/C=C\C[C@@](O)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H19F3O/c1-2-3-9-11(16,12(13,14)15)10-7-5-4-6-8-10/h2-3,10,16H,4-9H2,1H3/b3-2-/t11-/m1/s1
InChIKeyXZLUKKLSTNCYIV-OTDNITJGSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
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 (Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol?
The IUPAC name of (Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol (CID 134957805) is (Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol.
What is the SMILES notation for (Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol?
The canonical SMILES for (Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol is C/C=C\C[C@@](O)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of (Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol?
The InChIKey is XZLUKKLSTNCYIV-OTDNITJGSA-N. The full InChI is InChI=1S/C12H19F3O/c1-2-3-9-11(16,12(13,14)15)10-7-5-4-6-8-10/h2-3,10,16H,4-9H2,1H3/b3-2-/t11-/m1/s1.
What are the key properties of (Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol?
(Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol has a molecular weight of 236.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol is sourced from PubChem (CID 134957805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).