2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol

C13H17F3O2 — CID 107892620

IUPAC2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
SMILESCCCC(C)C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3O2/c1-3-4-9(2)12(17)10-5-7-11(8-6-10)18-13(14,15)16/h5-9,12,17H,3-4H2,1-2H3
InChIKeyJUXNIRJRUPZPHA-UHFFFAOYSA-N
MW262.27 g/mol
LogP4.05
Rot. Bonds5

About 2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol

2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol (PubChem CID 107892620) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
PubChem CID107892620
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
SMILESCCCC(C)C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3O2/c1-3-4-9(2)12(17)10-5-7-11(8-6-10)18-13(14,15)16/h5-9,12,17H,3-4H2,1-2H3
InChIKeyJUXNIRJRUPZPHA-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
CID 65148408
2-[4-(trifluoromethoxy)phenyl]hexan-3-amine
CID 83048255
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-one
CID 91327387
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171858532
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 115787256
methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 11608837
3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 81463053
2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 79566446
butan-2-yloxy-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]phosphinic acid
CID 88750216
2-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-2-methylbutanenitrile
CID 79136280
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol?
The IUPAC name of 2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol (CID 107892620) is 2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol is CCCC(C)C(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol?
The InChIKey is JUXNIRJRUPZPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c1-3-4-9(2)12(17)10-5-7-11(8-6-10)18-13(14,15)16/h5-9,12,17H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol?
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol is sourced from PubChem (CID 107892620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).