(3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol

C7H9F3O — CID 130281756

IUPAC(3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol
SMILESC=C/C(=C(/O)CC)C(F)(F)F
InChIInChI=1S/C7H9F3O/c1-3-5(6(11)4-2)7(8,9)10/h3,11H,1,4H2,2H3/b6-5-
InChIKeyCMCIJFCSEHXXJO-WAYWQWQTSA-N
MW166.14 g/mol
LogP2.96
Rot. Bonds2

About (3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol

(3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol (PubChem CID 130281756) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is (3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol.

Molecular Properties

Compound Name(3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol
PubChem CID130281756
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name(3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol
SMILESC=C/C(=C(/O)CC)C(F)(F)F
InChIInChI=1S/C7H9F3O/c1-3-5(6(11)4-2)7(8,9)10/h3,11H,1,4H2,2H3/b6-5-
InChIKeyCMCIJFCSEHXXJO-WAYWQWQTSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 52.96
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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Related Compounds

ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol
CID 145372548
ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene
CID 145071766
1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene
CID 15204769
3-methylidenepent-1-ene
CID 18850
(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
CID 163624463
(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
CID 145480576
(3E)-4-hydroxyhexa-1,3-diene-3-diazonium
CID 11094601
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
2-methyl-2-(4-methylhexa-1,3-dien-3-yl)propanedioic acid
CID 90731067
4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine
CID 176552593
2,2-dimethylpropane-1,3-diol;propanoic acid;bis(prop-2-enoic acid)
CID 162215044
(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 169163898

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol?
The IUPAC name of (3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol (CID 130281756) is (3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol.
What is the SMILES notation for (3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol?
The canonical SMILES for (3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol is C=C/C(=C(/O)CC)C(F)(F)F.
What is the InChIKey of (3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol?
The InChIKey is CMCIJFCSEHXXJO-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H9F3O/c1-3-5(6(11)4-2)7(8,9)10/h3,11H,1,4H2,2H3/b6-5-.
What are the key properties of (3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol?
(3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol has a molecular weight of 166.14 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol is sourced from PubChem (CID 130281756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).