(2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol

C11H15F3O — CID 118988143

IUPAC(2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol
SMILESC=C=C[C@@](O)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-2-8-10(15,11(12,13)14)9-6-4-3-5-7-9/h8-9,15H,1,3-7H2/t10-/m1/s1
InChIKeyURJUIRNNNIRATG-SNVBAGLBSA-N
MW220.23 g/mol
LogP3.20
Rot. Bonds2

About (2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol

(2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol (PubChem CID 118988143) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol
PubChem CID118988143
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name(2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol
SMILESC=C=C[C@@](O)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-2-8-10(15,11(12,13)14)9-6-4-3-5-7-9/h8-9,15H,1,3-7H2/t10-/m1/s1
InChIKeyURJUIRNNNIRATG-SNVBAGLBSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol?
The IUPAC name of (2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol (CID 118988143) is (2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol.
What is the SMILES notation for (2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol?
The canonical SMILES for (2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol is C=C=C[C@@](O)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of (2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol?
The InChIKey is URJUIRNNNIRATG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15F3O/c1-2-8-10(15,11(12,13)14)9-6-4-3-5-7-9/h8-9,15H,1,3-7H2/t10-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol?
(2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol has a molecular weight of 220.23 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-1,1,1-trifluoropenta-3,4-dien-2-ol is sourced from PubChem (CID 118988143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).