(E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol

C10H15F3O — CID 102092697

IUPAC(E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol
SMILESO[C@H](/C=C/C(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H15F3O/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8/h6-9,14H,1-5H2/b7-6+/t9-/m1/s1
InChIKeyVHDSKAZQJQHIFW-XCODYQFDSA-N
MW208.22 g/mol
LogP3.05
Rot. Bonds2

About (E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol

(E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol (PubChem CID 102092697) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is (E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol.

Molecular Properties

Compound Name(E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol
PubChem CID102092697
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name(E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol
SMILESO[C@H](/C=C/C(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H15F3O/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8/h6-9,14H,1-5H2/b7-6+/t9-/m1/s1
InChIKeyVHDSKAZQJQHIFW-XCODYQFDSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.05
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 (E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol?
The IUPAC name of (E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol (CID 102092697) is (E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol.
What is the SMILES notation for (E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol?
The canonical SMILES for (E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol is O[C@H](/C=C/C(F)(F)F)C1CCCCC1.
What is the InChIKey of (E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol?
The InChIKey is VHDSKAZQJQHIFW-XCODYQFDSA-N. The full InChI is InChI=1S/C10H15F3O/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8/h6-9,14H,1-5H2/b7-6+/t9-/m1/s1.
What are the key properties of (E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol?
(E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol has a molecular weight of 208.22 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol is sourced from PubChem (CID 102092697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).