7,7,7-trifluorohept-4-en-1-yn-3-ol

C7H7F3O — CID 139673727

IUPAC7,7,7-trifluorohept-4-en-1-yn-3-ol
SMILESC#CC(O)C=CCC(F)(F)F
InChIInChI=1S/C7H7F3O/c1-2-6(11)4-3-5-7(8,9)10/h1,3-4,6,11H,5H2
InChIKeyKRNPJJFLGGYPJM-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.49
Rot. Bonds2

About 7,7,7-trifluorohept-4-en-1-yn-3-ol

7,7,7-trifluorohept-4-en-1-yn-3-ol (PubChem CID 139673727) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 7,7,7-trifluorohept-4-en-1-yn-3-ol.

Molecular Properties

Compound Name7,7,7-trifluorohept-4-en-1-yn-3-ol
PubChem CID139673727
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name7,7,7-trifluorohept-4-en-1-yn-3-ol
SMILESC#CC(O)C=CCC(F)(F)F
InChIInChI=1S/C7H7F3O/c1-2-6(11)4-3-5-7(8,9)10/h1,3-4,6,11H,5H2
InChIKeyKRNPJJFLGGYPJM-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 53262797
(3S,4Z,15E,26E,28S)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol
CID 162943598
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(Z)-1,1,1-trifluoro-5-methylhept-3-ene
CID 154518878
(E,3S)-henicos-4-en-1-yn-3-ol
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(3S,4E)-docosa-4,15-dien-1-yn-3-ol
CID 163029238
icosa-4,13-dien-1-yn-3-ol
CID 163112599
tricosa-4,16-dien-1-yn-3-ol
CID 163109025
(3R,4E,13E,39E)-tritetraconta-4,13,39-trien-1,42-diyne-3,40-diol
CID 6442207
tritetraconta-4,13,39-trien-1,42-diyne-3,40-diol
CID 78410195
19-methylicos-4-en-1-yn-3-ol
CID 1660

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluorohept-4-en-1-yn-3-ol?
The IUPAC name of 7,7,7-trifluorohept-4-en-1-yn-3-ol (CID 139673727) is 7,7,7-trifluorohept-4-en-1-yn-3-ol.
What is the SMILES notation for 7,7,7-trifluorohept-4-en-1-yn-3-ol?
The canonical SMILES for 7,7,7-trifluorohept-4-en-1-yn-3-ol is C#CC(O)C=CCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluorohept-4-en-1-yn-3-ol?
The InChIKey is KRNPJJFLGGYPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c1-2-6(11)4-3-5-7(8,9)10/h1,3-4,6,11H,5H2.
What are the key properties of 7,7,7-trifluorohept-4-en-1-yn-3-ol?
7,7,7-trifluorohept-4-en-1-yn-3-ol has a molecular weight of 164.13 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluorohept-4-en-1-yn-3-ol is sourced from PubChem (CID 139673727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).