1-(2,4,5-trifluorophenyl)pentan-1-ol

C11H13F3O — CID 19885905

IUPAC1-(2,4,5-trifluorophenyl)pentan-1-ol
SMILESCCCCC(O)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H13F3O/c1-2-3-4-11(15)7-5-9(13)10(14)6-8(7)12/h5-6,11,15H,2-4H2,1H3
InChIKeyVVBJQIHMAJHZDK-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.33
Rot. Bonds4

About 1-(2,4,5-trifluorophenyl)pentan-1-ol

1-(2,4,5-trifluorophenyl)pentan-1-ol (PubChem CID 19885905) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(2,4,5-trifluorophenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(2,4,5-trifluorophenyl)pentan-1-ol
PubChem CID19885905
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-(2,4,5-trifluorophenyl)pentan-1-ol
SMILESCCCCC(O)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H13F3O/c1-2-3-4-11(15)7-5-9(13)10(14)6-8(7)12/h5-6,11,15H,2-4H2,1H3
InChIKeyVVBJQIHMAJHZDK-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trifluorophenyl)pentan-1-ol?
The IUPAC name of 1-(2,4,5-trifluorophenyl)pentan-1-ol (CID 19885905) is 1-(2,4,5-trifluorophenyl)pentan-1-ol.
What is the SMILES notation for 1-(2,4,5-trifluorophenyl)pentan-1-ol?
The canonical SMILES for 1-(2,4,5-trifluorophenyl)pentan-1-ol is CCCCC(O)c1cc(F)c(F)cc1F.
What is the InChIKey of 1-(2,4,5-trifluorophenyl)pentan-1-ol?
The InChIKey is VVBJQIHMAJHZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-2-3-4-11(15)7-5-9(13)10(14)6-8(7)12/h5-6,11,15H,2-4H2,1H3.
What are the key properties of 1-(2,4,5-trifluorophenyl)pentan-1-ol?
1-(2,4,5-trifluorophenyl)pentan-1-ol has a molecular weight of 218.22 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trifluorophenyl)pentan-1-ol is sourced from PubChem (CID 19885905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).