4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol

C9H15F3O — CID 162565358

IUPAC4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol
SMILESC=CC(O)C(CC)(CC)C(F)(F)F
InChIInChI=1S/C9H15F3O/c1-4-7(13)8(5-2,6-3)9(10,11)12/h4,7,13H,1,5-6H2,2-3H3
InChIKeyCUSRUUBNJUSXPC-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.90
Rot. Bonds4

About 4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol

4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol (PubChem CID 162565358) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol.

Molecular Properties

Compound Name4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol
PubChem CID162565358
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol
SMILESC=CC(O)C(CC)(CC)C(F)(F)F
InChIInChI=1S/C9H15F3O/c1-4-7(13)8(5-2,6-3)9(10,11)12/h4,7,13H,1,5-6H2,2-3H3
InChIKeyCUSRUUBNJUSXPC-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.90
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 4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol?
The IUPAC name of 4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol (CID 162565358) is 4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol.
What is the SMILES notation for 4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol?
The canonical SMILES for 4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol is C=CC(O)C(CC)(CC)C(F)(F)F.
What is the InChIKey of 4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol?
The InChIKey is CUSRUUBNJUSXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-4-7(13)8(5-2,6-3)9(10,11)12/h4,7,13H,1,5-6H2,2-3H3.
What are the key properties of 4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol?
4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol has a molecular weight of 196.21 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(trifluoromethyl)hex-1-en-3-ol is sourced from PubChem (CID 162565358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).