3-fluoro-1-sulfinylnon-2-en-1-ol

C9H15FO2S — CID 173393239

IUPAC3-fluoro-1-sulfinylnon-2-en-1-ol
SMILESCCCCCCC(F)=CC(O)=S=O
InChIInChI=1S/C9H15FO2S/c1-2-3-4-5-6-8(10)7-9(11)13-12/h7,11H,2-6H2,1H3
InChIKeyFEFMCZCJSJCYEC-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.71
Rot. Bonds6

About 3-fluoro-1-sulfinylnon-2-en-1-ol

3-fluoro-1-sulfinylnon-2-en-1-ol (PubChem CID 173393239) has the molecular formula C9H15FO2S and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-fluoro-1-sulfinylnon-2-en-1-ol.

Molecular Properties

Compound Name3-fluoro-1-sulfinylnon-2-en-1-ol
PubChem CID173393239
Molecular FormulaC9H15FO2S
Molecular Weight206.28 g/mol
Exact Mass206.08
IUPAC Name3-fluoro-1-sulfinylnon-2-en-1-ol
SMILESCCCCCCC(F)=CC(O)=S=O
InChIInChI=1S/C9H15FO2S/c1-2-3-4-5-6-8(10)7-9(11)13-12/h7,11H,2-6H2,1H3
InChIKeyFEFMCZCJSJCYEC-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-fluoro-1-sulfinylnon-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoroundec-3-ene
CID 141013194
2-sulfinylundecanal
CID 154594703
heptadecane;hypofluorous acid
CID 158426244
(E)-3-fluoro-2-methylundec-2-enoic acid
CID 87728634
(Z)-9,10-difluorooctadec-9-ene
CID 101427942
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
hexakis(octadecanoic acid);zinc;zirconium
CID 138753420
(E)-3-heptylundec-2-enoic acid
CID 176810825
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-sulfinylnon-2-en-1-ol?
The IUPAC name of 3-fluoro-1-sulfinylnon-2-en-1-ol (CID 173393239) is 3-fluoro-1-sulfinylnon-2-en-1-ol.
What is the SMILES notation for 3-fluoro-1-sulfinylnon-2-en-1-ol?
The canonical SMILES for 3-fluoro-1-sulfinylnon-2-en-1-ol is CCCCCCC(F)=CC(O)=S=O.
What is the InChIKey of 3-fluoro-1-sulfinylnon-2-en-1-ol?
The InChIKey is FEFMCZCJSJCYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2S/c1-2-3-4-5-6-8(10)7-9(11)13-12/h7,11H,2-6H2,1H3.
What are the key properties of 3-fluoro-1-sulfinylnon-2-en-1-ol?
3-fluoro-1-sulfinylnon-2-en-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-sulfinylnon-2-en-1-ol is sourced from PubChem (CID 173393239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).