(E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol

C10H19FO — CID 90161267

IUPAC(E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol
SMILESC[C@H](O)[C@H](C)C/C=C/CCCF
InChIInChI=1S/C10H19FO/c1-9(10(2)12)7-5-3-4-6-8-11/h3,5,9-10,12H,4,6-8H2,1-2H3/b5-3+/t9-,10+/m1/s1
InChIKeyXJHCUYYKUCPDNP-AEJJFCSLSA-N
MW174.26 g/mol
LogP2.70
Rot. Bonds6

About (E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol

(E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol (PubChem CID 90161267) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is (E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol.

Molecular Properties

Compound Name(E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol
PubChem CID90161267
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name(E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol
SMILESC[C@H](O)[C@H](C)C/C=C/CCCF
InChIInChI=1S/C10H19FO/c1-9(10(2)12)7-5-3-4-6-8-11/h3,5,9-10,12H,4,6-8H2,1-2H3/b5-3+/t9-,10+/m1/s1
InChIKeyXJHCUYYKUCPDNP-AEJJFCSLSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol?
The IUPAC name of (E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol (CID 90161267) is (E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol.
What is the SMILES notation for (E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol?
The canonical SMILES for (E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol is C[C@H](O)[C@H](C)C/C=C/CCCF.
What is the InChIKey of (E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol?
The InChIKey is XJHCUYYKUCPDNP-AEJJFCSLSA-N. The full InChI is InChI=1S/C10H19FO/c1-9(10(2)12)7-5-3-4-6-8-11/h3,5,9-10,12H,4,6-8H2,1-2H3/b5-3+/t9-,10+/m1/s1.
What are the key properties of (E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol?
(E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol has a molecular weight of 174.26 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-9-fluoro-3-methylnon-5-en-2-ol is sourced from PubChem (CID 90161267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).