1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol

C13H15F5O — CID 115783388

IUPAC1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol
SMILESCCCCCCC(O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F5O/c1-2-3-4-5-6-7(19)8-9(14)11(16)13(18)12(17)10(8)15/h7,19H,2-6H2,1H3
InChIKeyJPVUPGWUMJQAJM-UHFFFAOYSA-N
MW282.25 g/mol
LogP4.39
Rot. Bonds6

About 1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol

1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol (PubChem CID 115783388) has the molecular formula C13H15F5O and a molecular weight of 282.25 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol
PubChem CID115783388
Molecular FormulaC13H15F5O
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol
SMILESCCCCCCC(O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F5O/c1-2-3-4-5-6-7(19)8-9(14)11(16)13(18)12(17)10(8)15/h7,19H,2-6H2,1H3
InChIKeyJPVUPGWUMJQAJM-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 54.39
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_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,4,5,6-pentafluorophenyl)heptan-1-amine
CID 115833229
1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol
CID 65426941
1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol
CID 106879533
1-(3-bromo-2,6-difluorophenyl)decan-1-ol
CID 106945067
2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene
CID 174662628
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
icosan-3-ol
CID 14940768
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168
1-(2,3,4,5,6-pentafluorophenyl)-N-propylhexan-1-amine
CID 115837064
tetracosan-6-ol
CID 154265400
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol (CID 115783388) is 1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol is CCCCCCC(O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol?
The InChIKey is JPVUPGWUMJQAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5O/c1-2-3-4-5-6-7(19)8-9(14)11(16)13(18)12(17)10(8)15/h7,19H,2-6H2,1H3.
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol?
1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol has a molecular weight of 282.25 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol is sourced from PubChem (CID 115783388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).