2-fluoro-10-(2-methylpropoxy)decan-1-ol

C14H29FO2 — CID 139609462

IUPAC2-fluoro-10-(2-methylpropoxy)decan-1-ol
SMILESCC(C)COCCCCCCCCC(F)CO
InChIInChI=1S/C14H29FO2/c1-13(2)12-17-10-8-6-4-3-5-7-9-14(15)11-16/h13-14,16H,3-12H2,1-2H3
InChIKeyNBAZWXCHPKTPAO-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.72
Rot. Bonds12

About 2-fluoro-10-(2-methylpropoxy)decan-1-ol

2-fluoro-10-(2-methylpropoxy)decan-1-ol (PubChem CID 139609462) has the molecular formula C14H29FO2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 2-fluoro-10-(2-methylpropoxy)decan-1-ol.

Molecular Properties

Compound Name2-fluoro-10-(2-methylpropoxy)decan-1-ol
PubChem CID139609462
Molecular FormulaC14H29FO2
Molecular Weight248.38 g/mol
Exact Mass248.22
IUPAC Name2-fluoro-10-(2-methylpropoxy)decan-1-ol
SMILESCC(C)COCCCCCCCCC(F)CO
InChIInChI=1S/C14H29FO2/c1-13(2)12-17-10-8-6-4-3-5-7-9-14(15)11-16/h13-14,16H,3-12H2,1-2H3
InChIKeyNBAZWXCHPKTPAO-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol
CID 139607930
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol
CID 106448667
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
11-ethenoxy-2-fluoroundecan-1-ol
CID 139609456
3-[2-hydroxy-3-(8-methylnonoxy)propoxy]propane-1,2-diol
CID 71375851
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
(2R)-2-fluorodecan-1-ol
CID 54309655
2-fluorononan-1-ol
CID 15918975

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-10-(2-methylpropoxy)decan-1-ol?
The IUPAC name of 2-fluoro-10-(2-methylpropoxy)decan-1-ol (CID 139609462) is 2-fluoro-10-(2-methylpropoxy)decan-1-ol.
What is the SMILES notation for 2-fluoro-10-(2-methylpropoxy)decan-1-ol?
The canonical SMILES for 2-fluoro-10-(2-methylpropoxy)decan-1-ol is CC(C)COCCCCCCCCC(F)CO.
What is the InChIKey of 2-fluoro-10-(2-methylpropoxy)decan-1-ol?
The InChIKey is NBAZWXCHPKTPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FO2/c1-13(2)12-17-10-8-6-4-3-5-7-9-14(15)11-16/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-fluoro-10-(2-methylpropoxy)decan-1-ol?
2-fluoro-10-(2-methylpropoxy)decan-1-ol has a molecular weight of 248.38 g/mol, XLogP of 3.72, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-10-(2-methylpropoxy)decan-1-ol is sourced from PubChem (CID 139609462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).