6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol

C14H16F6O2 — CID 90004068

IUPAC6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol
SMILESOCCCCCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F6O2/c15-13(16,17)10-7-11(14(18,19)20)9-12(8-10)22-6-4-2-1-3-5-21/h7-9,21H,1-6H2
InChIKeyTUWHVYXWRJDHLO-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.66
Rot. Bonds7

About 6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol

6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol (PubChem CID 90004068) has the molecular formula C14H16F6O2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol
PubChem CID90004068
Molecular FormulaC14H16F6O2
Molecular Weight330.27 g/mol
Exact Mass330.11
IUPAC Name6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol
SMILESOCCCCCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F6O2/c15-13(16,17)10-7-11(14(18,19)20)9-12(8-10)22-6-4-2-1-3-5-21/h7-9,21H,1-6H2
InChIKeyTUWHVYXWRJDHLO-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.66
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

3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
3-pentoxy-5-(trifluoromethyl)aniline
CID 82995842
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(4-fluorobutoxy)phenol
CID 146557382
11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
3-propoxy-5-(trifluoromethyl)phenol
CID 118342805
1-(3-bromopropoxy)-3-fluoro-5-(trifluoromethyl)benzene
CID 162393577
5-[4-methanimidoyl-3-(trifluoromethyl)phenoxy]pentan-1-ol
CID 152998795
3-butoxy-5-(trifluoromethyl)benzoic acid
CID 118349151
1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene
CID 162498721
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
CID 107723451
11-[4-[1,1-bis[4-(11-hydroxyundecoxy)phenyl]ethyl]phenoxy]undecan-1-ol
CID 102322875

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol?
The IUPAC name of 6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol (CID 90004068) is 6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol is OCCCCCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol?
The InChIKey is TUWHVYXWRJDHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6O2/c15-13(16,17)10-7-11(14(18,19)20)9-12(8-10)22-6-4-2-1-3-5-21/h7-9,21H,1-6H2.
What are the key properties of 6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol?
6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol has a molecular weight of 330.27 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol is sourced from PubChem (CID 90004068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).