6-(3,4,5-trifluorophenyl)hexan-1-ol

C12H15F3O — CID 174855228

IUPAC6-(3,4,5-trifluorophenyl)hexan-1-ol
SMILESOCCCCCCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H15F3O/c13-10-7-9(8-11(14)12(10)15)5-3-1-2-4-6-16/h7-8,16H,1-6H2
InChIKeyMSGYSRBGUKKJBA-UHFFFAOYSA-N
MW232.24 g/mol
LogP3.20
Rot. Bonds6

About 6-(3,4,5-trifluorophenyl)hexan-1-ol

6-(3,4,5-trifluorophenyl)hexan-1-ol (PubChem CID 174855228) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-(3,4,5-trifluorophenyl)hexan-1-ol.

Molecular Properties

Compound Name6-(3,4,5-trifluorophenyl)hexan-1-ol
PubChem CID174855228
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name6-(3,4,5-trifluorophenyl)hexan-1-ol
SMILESOCCCCCCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H15F3O/c13-10-7-9(8-11(14)12(10)15)5-3-1-2-4-6-16/h7-8,16H,1-6H2
InChIKeyMSGYSRBGUKKJBA-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol
CID 90163478
3-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 66733620
3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
CID 117318967
4-(3-fluoro-4-phenylphenyl)butan-1-ol
CID 172805530
5-(2-bromoethyl)-1,2,3-trifluorobenzene
CID 22913642
tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90172630
3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid
CID 117304986
ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90174390
6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
CID 107704167
N-methyl-2-(3,4,5-trifluorophenyl)ethanamine
CID 64866186
4-(12-hydroxydodecyl)phenol
CID 139809285
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117302752

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,5-trifluorophenyl)hexan-1-ol?
The IUPAC name of 6-(3,4,5-trifluorophenyl)hexan-1-ol (CID 174855228) is 6-(3,4,5-trifluorophenyl)hexan-1-ol.
What is the SMILES notation for 6-(3,4,5-trifluorophenyl)hexan-1-ol?
The canonical SMILES for 6-(3,4,5-trifluorophenyl)hexan-1-ol is OCCCCCCc1cc(F)c(F)c(F)c1.
What is the InChIKey of 6-(3,4,5-trifluorophenyl)hexan-1-ol?
The InChIKey is MSGYSRBGUKKJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c13-10-7-9(8-11(14)12(10)15)5-3-1-2-4-6-16/h7-8,16H,1-6H2.
What are the key properties of 6-(3,4,5-trifluorophenyl)hexan-1-ol?
6-(3,4,5-trifluorophenyl)hexan-1-ol has a molecular weight of 232.24 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,5-trifluorophenyl)hexan-1-ol is sourced from PubChem (CID 174855228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).