6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol

C13H17F3O3 — CID 104856727

IUPAC6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol
SMILESOCCCCCCOc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H17F3O3/c14-13(15,16)19-12-8-4-3-7-11(12)18-10-6-2-1-5-9-17/h3-4,7-8,17H,1-2,5-6,9-10H2
InChIKeyHHYUVKJVBHRZRQ-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.52
Rot. Bonds8

About 6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol

6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol (PubChem CID 104856727) has the molecular formula C13H17F3O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol
PubChem CID104856727
Molecular FormulaC13H17F3O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol
SMILESOCCCCCCOc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H17F3O3/c14-13(15,16)19-12-8-4-3-7-11(12)18-10-6-2-1-5-9-17/h3-4,7-8,17H,1-2,5-6,9-10H2
InChIKeyHHYUVKJVBHRZRQ-UHFFFAOYSA-N
XLogP3.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
6-[2-(trifluoromethoxy)phenoxy]hexan-2-one
CID 113497423
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
CID 103924217
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
1-fluoro-4-[4-[6-[2-[6-[4-(trifluoromethoxy)phenoxy]hexoxy]phenoxy]hexoxy]phenyl]benzene
CID 102208232
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
6-(3-amino-2-bromophenoxy)hexan-1-ol
CID 107702028

Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol?
The IUPAC name of 6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol (CID 104856727) is 6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol is OCCCCCCOc1ccccc1OC(F)(F)F.
What is the InChIKey of 6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol?
The InChIKey is HHYUVKJVBHRZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O3/c14-13(15,16)19-12-8-4-3-7-11(12)18-10-6-2-1-5-9-17/h3-4,7-8,17H,1-2,5-6,9-10H2.
What are the key properties of 6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol?
6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol has a molecular weight of 278.27 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol is sourced from PubChem (CID 104856727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).