(4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol

C11H16ClF3O — CID 163953461

IUPAC(4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol
SMILESCC/C(Cl)=C\C(C)=C/CC(C)(O)C(F)(F)F
InChIInChI=1S/C11H16ClF3O/c1-4-9(12)7-8(2)5-6-10(3,16)11(13,14)15/h5,7,16H,4,6H2,1-3H3/b8-5-,9-7+
InChIKeySBIQPFKLRVGTRY-ANVCMGODSA-N
MW256.69 g/mol
LogP4.17
Rot. Bonds4

About (4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol

(4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol (PubChem CID 163953461) has the molecular formula C11H16ClF3O and a molecular weight of 256.69 g/mol. Its IUPAC name is (4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol.

Molecular Properties

Compound Name(4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol
PubChem CID163953461
Molecular FormulaC11H16ClF3O
Molecular Weight256.69 g/mol
Exact Mass256.08
IUPAC Name(4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol
SMILESCC/C(Cl)=C\C(C)=C/CC(C)(O)C(F)(F)F
InChIInChI=1S/C11H16ClF3O/c1-4-9(12)7-8(2)5-6-10(3,16)11(13,14)15/h5,7,16H,4,6H2,1-3H3/b8-5-,9-7+
InChIKeySBIQPFKLRVGTRY-ANVCMGODSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol?
The IUPAC name of (4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol (CID 163953461) is (4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol.
What is the SMILES notation for (4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol?
The canonical SMILES for (4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol is CC/C(Cl)=C\C(C)=C/CC(C)(O)C(F)(F)F.
What is the InChIKey of (4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol?
The InChIKey is SBIQPFKLRVGTRY-ANVCMGODSA-N. The full InChI is InChI=1S/C11H16ClF3O/c1-4-9(12)7-8(2)5-6-10(3,16)11(13,14)15/h5,7,16H,4,6H2,1-3H3/b8-5-,9-7+.
What are the key properties of (4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol?
(4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol has a molecular weight of 256.69 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-7-chloro-1,1,1-trifluoro-2,5-dimethylnona-4,6-dien-2-ol is sourced from PubChem (CID 163953461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).