5-[4-(trifluoromethoxy)phenyl]pentan-1-ol

C12H15F3O2 — CID 174874438

IUPAC5-[4-(trifluoromethoxy)phenyl]pentan-1-ol
SMILESOCCCCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3O2/c13-12(14,15)17-11-7-5-10(6-8-11)4-2-1-3-9-16/h5-8,16H,1-4,9H2
InChIKeyLEYFPKZNYHMVKK-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.29
Rot. Bonds6

About 5-[4-(trifluoromethoxy)phenyl]pentan-1-ol

5-[4-(trifluoromethoxy)phenyl]pentan-1-ol (PubChem CID 174874438) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]pentan-1-ol
PubChem CID174874438
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name5-[4-(trifluoromethoxy)phenyl]pentan-1-ol
SMILESOCCCCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3O2/c13-12(14,15)17-11-7-5-10(6-8-11)4-2-1-3-9-16/h5-8,16H,1-4,9H2
InChIKeyLEYFPKZNYHMVKK-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.29
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

1-bromo-4-[4-[4-(trifluoromethoxy)phenyl]butyl]benzene
CID 90901718
16-[4-(trifluoromethoxy)phenyl]hexadecan-2-one
CID 70484420
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117
2,3-difluoro-1-(4-hexylphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388526
2-methyl-1-[4-(trifluoromethoxy)phenyl]-4-[9-[4-[4-(trifluoromethoxy)phenyl]phenyl]nonyl]benzene
CID 155259559
5-[4-[4-(trifluoromethoxy)phenyl]phenyl]pentanoic acid
CID 68891418
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
[4-(3-hydroxypropyl)phenoxy]boronic acid
CID 142689507
N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62528832
N-propyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62528830

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]pentan-1-ol?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]pentan-1-ol (CID 174874438) is 5-[4-(trifluoromethoxy)phenyl]pentan-1-ol.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]pentan-1-ol?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]pentan-1-ol is OCCCCCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]pentan-1-ol?
The InChIKey is LEYFPKZNYHMVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c13-12(14,15)17-11-7-5-10(6-8-11)4-2-1-3-9-16/h5-8,16H,1-4,9H2.
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]pentan-1-ol?
5-[4-(trifluoromethoxy)phenyl]pentan-1-ol has a molecular weight of 248.24 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]pentan-1-ol is sourced from PubChem (CID 174874438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).