(4S)-3,3-difluorooct-1-en-4-ol

C8H14F2O — CID 76764334

IUPAC(4S)-3,3-difluorooct-1-en-4-ol
SMILESC=CC(F)(F)[C@@H](O)CCCC
InChIInChI=1S/C8H14F2O/c1-3-5-6-7(11)8(9,10)4-2/h4,7,11H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKeyRDOPXYXHYHCWII-ZETCQYMHSA-N
MW164.19 g/mol
LogP2.36
Rot. Bonds5

About (4S)-3,3-difluorooct-1-en-4-ol

(4S)-3,3-difluorooct-1-en-4-ol (PubChem CID 76764334) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is (4S)-3,3-difluorooct-1-en-4-ol.

Molecular Properties

Compound Name(4S)-3,3-difluorooct-1-en-4-ol
PubChem CID76764334
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name(4S)-3,3-difluorooct-1-en-4-ol
SMILESC=CC(F)(F)[C@@H](O)CCCC
InChIInChI=1S/C8H14F2O/c1-3-5-6-7(11)8(9,10)4-2/h4,7,11H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKeyRDOPXYXHYHCWII-ZETCQYMHSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-difluorooct-1-en-4-ol?
The IUPAC name of (4S)-3,3-difluorooct-1-en-4-ol (CID 76764334) is (4S)-3,3-difluorooct-1-en-4-ol.
What is the SMILES notation for (4S)-3,3-difluorooct-1-en-4-ol?
The canonical SMILES for (4S)-3,3-difluorooct-1-en-4-ol is C=CC(F)(F)[C@@H](O)CCCC.
What is the InChIKey of (4S)-3,3-difluorooct-1-en-4-ol?
The InChIKey is RDOPXYXHYHCWII-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F2O/c1-3-5-6-7(11)8(9,10)4-2/h4,7,11H,2-3,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-3,3-difluorooct-1-en-4-ol?
(4S)-3,3-difluorooct-1-en-4-ol has a molecular weight of 164.19 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluorooct-1-en-4-ol is sourced from PubChem (CID 76764334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).