(3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol

C10H15F3O — CID 71485097

IUPAC(3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol
SMILESCCCC/C=C/C=C/C(O)C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h5-9,14H,2-4H2,1H3/b6-5+,8-7+
InChIKeyJVUDLSOQSWFXOZ-BSWSSELBSA-N
MW208.22 g/mol
LogP3.21
Rot. Bonds5

About (3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol

(3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol (PubChem CID 71485097) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is (3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol
PubChem CID71485097
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name(3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol
SMILESCCCC/C=C/C=C/C(O)C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h5-9,14H,2-4H2,1H3/b6-5+,8-7+
InChIKeyJVUDLSOQSWFXOZ-BSWSSELBSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol?
The IUPAC name of (3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol (CID 71485097) is (3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol.
What is the SMILES notation for (3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol?
The canonical SMILES for (3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol is CCCC/C=C/C=C/C(O)C(F)(F)F.
What is the InChIKey of (3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol?
The InChIKey is JVUDLSOQSWFXOZ-BSWSSELBSA-N. The full InChI is InChI=1S/C10H15F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h5-9,14H,2-4H2,1H3/b6-5+,8-7+.
What are the key properties of (3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol?
(3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol has a molecular weight of 208.22 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-1,1,1-trifluorodeca-3,5-dien-2-ol is sourced from PubChem (CID 71485097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).