1,2,2-trifluorooct-7-en-4-ol

C8H13F3O — CID 59892545

IUPAC1,2,2-trifluorooct-7-en-4-ol
SMILESC=CCCC(O)CC(F)(F)CF
InChIInChI=1S/C8H13F3O/c1-2-3-4-7(12)5-8(10,11)6-9/h2,7,12H,1,3-6H2
InChIKeyJIFPPQKCCFWLEG-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.31
Rot. Bonds6

About 1,2,2-trifluorooct-7-en-4-ol

1,2,2-trifluorooct-7-en-4-ol (PubChem CID 59892545) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 1,2,2-trifluorooct-7-en-4-ol.

Molecular Properties

Compound Name1,2,2-trifluorooct-7-en-4-ol
PubChem CID59892545
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name1,2,2-trifluorooct-7-en-4-ol
SMILESC=CCCC(O)CC(F)(F)CF
InChIInChI=1S/C8H13F3O/c1-2-3-4-7(12)5-8(10,11)6-9/h2,7,12H,1,3-6H2
InChIKeyJIFPPQKCCFWLEG-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,8-Nonadien-5-ol
CID 11829542
1-Fluorooct-7-en-2-ol
CID 12024928
4,4,5,5-Tetrafluorohept-6-en-3-ol
CID 101778190
(3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium
CID 134856462
(4S)-3,3-difluorooct-1-en-4-ol
CID 76764334
1,1,1-Trifluoro-5-hexene-2-ol
CID 10920719
5-Fluorooct-7-en-4-ol
CID 13623566
1,1,1-Trifluorododec-11-en-2-ol
CID 53661504
1,1,1-Trifluoronon-8-en-2-ol
CID 53753676
1,1,1-Trifluoro-6-hepten-2-ol
CID 54107602
4,4-Difluorooct-1-en-3-ol
CID 54117249
1,1,1-Trifluorooct-7-en-2-ol
CID 54303988

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluorooct-7-en-4-ol?
The IUPAC name of 1,2,2-trifluorooct-7-en-4-ol (CID 59892545) is 1,2,2-trifluorooct-7-en-4-ol.
What is the SMILES notation for 1,2,2-trifluorooct-7-en-4-ol?
The canonical SMILES for 1,2,2-trifluorooct-7-en-4-ol is C=CCCC(O)CC(F)(F)CF.
What is the InChIKey of 1,2,2-trifluorooct-7-en-4-ol?
The InChIKey is JIFPPQKCCFWLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-2-3-4-7(12)5-8(10,11)6-9/h2,7,12H,1,3-6H2.
What are the key properties of 1,2,2-trifluorooct-7-en-4-ol?
1,2,2-trifluorooct-7-en-4-ol has a molecular weight of 182.18 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluorooct-7-en-4-ol is sourced from PubChem (CID 59892545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).