(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol

C7H7F3O — CID 130317502

IUPAC(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C)C(F)(F)F
InChIInChI=1S/C7H7F3O/c1-5(7(8,9)10)3-4-6(2)11/h3-4,11H,1-2H2/b4-3-
InChIKeyNUGMFTNTNMYTAP-ARJAWSKDSA-N
MW164.13 g/mol
LogP2.73
Rot. Bonds2

About (3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol

(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol (PubChem CID 130317502) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is (3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol
PubChem CID130317502
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C)C(F)(F)F
InChIInChI=1S/C7H7F3O/c1-5(7(8,9)10)3-4-6(2)11/h3-4,11H,1-2H2/b4-3-
InChIKeyNUGMFTNTNMYTAP-ARJAWSKDSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol (CID 130317502) is (3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol is C=C(O)/C=C\C(=C)C(F)(F)F.
What is the InChIKey of (3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol?
The InChIKey is NUGMFTNTNMYTAP-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H7F3O/c1-5(7(8,9)10)3-4-6(2)11/h3-4,11H,1-2H2/b4-3-.
What are the key properties of (3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol?
(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol has a molecular weight of 164.13 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 130317502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).