2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol

C14H26F4O2 — CID 139607930

IUPAC2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol
SMILESOCC(F)CCCCCCCCCCOCC(F)(F)F
InChIInChI=1S/C14H26F4O2/c15-13(11-19)9-7-5-3-1-2-4-6-8-10-20-12-14(16,17)18/h13,19H,1-12H2
InChIKeyOZJHEWFVDLVXDM-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.41
Rot. Bonds13

About 2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol

2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol (PubChem CID 139607930) has the molecular formula C14H26F4O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol.

Molecular Properties

Compound Name2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol
PubChem CID139607930
Molecular FormulaC14H26F4O2
Molecular Weight302.35 g/mol
Exact Mass302.19
IUPAC Name2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol
SMILESOCC(F)CCCCCCCCCCOCC(F)(F)F
InChIInChI=1S/C14H26F4O2/c15-13(11-19)9-7-5-3-1-2-4-6-8-10-20-12-14(16,17)18/h13,19H,1-12H2
InChIKeyOZJHEWFVDLVXDM-UHFFFAOYSA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.41
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

2-amino-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64571795
2-fluoro-10-(2-methylpropoxy)decan-1-ol
CID 139609462
1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 63354833
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
11-ethenoxy-2-fluoroundecan-1-ol
CID 139609456
9-(2,2,2-trifluoroethoxy)nonane-1-thiol
CID 71363525
2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491061
9-fluoro-1-(9-fluoropentacosoxy)pentacosane
CID 175553006
(2R)-2-fluorodecan-1-ol
CID 54309655
2-fluorononan-1-ol
CID 15918975
2-fluoroundecan-1-ol
CID 15918974
6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490622

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol?
The IUPAC name of 2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol (CID 139607930) is 2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol.
What is the SMILES notation for 2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol?
The canonical SMILES for 2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol is OCC(F)CCCCCCCCCCOCC(F)(F)F.
What is the InChIKey of 2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol?
The InChIKey is OZJHEWFVDLVXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F4O2/c15-13(11-19)9-7-5-3-1-2-4-6-8-10-20-12-14(16,17)18/h13,19H,1-12H2.
What are the key properties of 2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol?
2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol has a molecular weight of 302.35 g/mol, XLogP of 4.41, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol is sourced from PubChem (CID 139607930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).