5-fluoro-2-methyldecan-5-ol

C11H23FO — CID 139754865

IUPAC5-fluoro-2-methyldecan-5-ol
SMILESCCCCCC(O)(F)CCC(C)C
InChIInChI=1S/C11H23FO/c1-4-5-6-8-11(12,13)9-7-10(2)3/h10,13H,4-9H2,1-3H3
InChIKeyGWSMISBTBUDDFZ-UHFFFAOYSA-N
MW190.30 g/mol
LogP3.66
Rot. Bonds7

About 5-fluoro-2-methyldecan-5-ol

5-fluoro-2-methyldecan-5-ol (PubChem CID 139754865) has the molecular formula C11H23FO and a molecular weight of 190.30 g/mol. Its IUPAC name is 5-fluoro-2-methyldecan-5-ol.

Molecular Properties

Compound Name5-fluoro-2-methyldecan-5-ol
PubChem CID139754865
Molecular FormulaC11H23FO
Molecular Weight190.30 g/mol
Exact Mass190.17
IUPAC Name5-fluoro-2-methyldecan-5-ol
SMILESCCCCCC(O)(F)CCC(C)C
InChIInChI=1S/C11H23FO/c1-4-5-6-8-11(12,13)9-7-10(2)3/h10,13H,4-9H2,1-3H3
InChIKeyGWSMISBTBUDDFZ-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-fluoropentacosan-9-ol
CID 139794548
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2-(3-methylbutyl)-2-pentylpropane-1,3-diol
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2-methylhexane;1,1,1-trifluoroethane
CID 157031744
6,6-dibutyl-2-methyldecane
CID 150480915
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
hexane;2-methylpentane
CID 19835603
6,6-difluorooctadecan-2-amine
CID 174731685
2,4-dimethylnonan-4-ol
CID 3018500
2,2-difluoro-N-(2-methylpropyl)tridecanamide
CID 138530179
6,6-difluoro-2,10-dimethylundecane
CID 169289858
3,3-difluoro-2-methylnonane
CID 121443889

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyldecan-5-ol?
The IUPAC name of 5-fluoro-2-methyldecan-5-ol (CID 139754865) is 5-fluoro-2-methyldecan-5-ol.
What is the SMILES notation for 5-fluoro-2-methyldecan-5-ol?
The canonical SMILES for 5-fluoro-2-methyldecan-5-ol is CCCCCC(O)(F)CCC(C)C.
What is the InChIKey of 5-fluoro-2-methyldecan-5-ol?
The InChIKey is GWSMISBTBUDDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FO/c1-4-5-6-8-11(12,13)9-7-10(2)3/h10,13H,4-9H2,1-3H3.
What are the key properties of 5-fluoro-2-methyldecan-5-ol?
5-fluoro-2-methyldecan-5-ol has a molecular weight of 190.30 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyldecan-5-ol is sourced from PubChem (CID 139754865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).