4-(trifluoromethyl)hepta-3,5-dien-1-ol

C8H11F3O — CID 123281466

IUPAC4-(trifluoromethyl)hepta-3,5-dien-1-ol
SMILESCC=CC(=CCCO)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-2-4-7(5-3-6-12)8(9,10)11/h2,4-5,12H,3,6H2,1H3
InChIKeyIMBCRVRLWXLSAH-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.43
Rot. Bonds3

About 4-(trifluoromethyl)hepta-3,5-dien-1-ol

4-(trifluoromethyl)hepta-3,5-dien-1-ol (PubChem CID 123281466) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 4-(trifluoromethyl)hepta-3,5-dien-1-ol.

Molecular Properties

Compound Name4-(trifluoromethyl)hepta-3,5-dien-1-ol
PubChem CID123281466
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name4-(trifluoromethyl)hepta-3,5-dien-1-ol
SMILESCC=CC(=CCCO)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-2-4-7(5-3-6-12)8(9,10)11/h2,4-5,12H,3,6H2,1H3
InChIKeyIMBCRVRLWXLSAH-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E)-5-methylhepta-3,5-dien-1-ol
CID 11378495
(Z)-5,5,5-trifluoro-4-methylpent-3-en-1-ol
CID 19349128
5,5,5-Trifluoro-4-methylpent-3-en-1-ol
CID 54109129
4-Fluoroocta-3,5,6-trien-1-ol
CID 57021227
6,6-Difluoro-5-(trifluoromethyl)hexa-3,5-dien-1-ol
CID 58734904
2,2-Difluoropent-3-en-1-ol
CID 71651631
CID 73014334
CID 73014334
(E)-5,5,5-trifluoro-4-methylpent-3-en-1-ol
CID 88148104
(Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol
CID 89135602
(2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol
CID 89207204
(3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol
CID 89209626
(4Z,6Z)-1,1,1-trifluoro-3-methylideneocta-4,6-dien-2-ol
CID 89209828

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)hepta-3,5-dien-1-ol?
The IUPAC name of 4-(trifluoromethyl)hepta-3,5-dien-1-ol (CID 123281466) is 4-(trifluoromethyl)hepta-3,5-dien-1-ol.
What is the SMILES notation for 4-(trifluoromethyl)hepta-3,5-dien-1-ol?
The canonical SMILES for 4-(trifluoromethyl)hepta-3,5-dien-1-ol is CC=CC(=CCCO)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)hepta-3,5-dien-1-ol?
The InChIKey is IMBCRVRLWXLSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-2-4-7(5-3-6-12)8(9,10)11/h2,4-5,12H,3,6H2,1H3.
What are the key properties of 4-(trifluoromethyl)hepta-3,5-dien-1-ol?
4-(trifluoromethyl)hepta-3,5-dien-1-ol has a molecular weight of 180.17 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)hepta-3,5-dien-1-ol is sourced from PubChem (CID 123281466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).