1-[4-(trifluoromethyl)phenoxy]pentan-2-ol

C12H15F3O2 — CID 117241736

IUPAC1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
SMILESCCCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3O2/c1-2-3-10(16)8-17-11-6-4-9(5-7-11)12(13,14)15/h4-7,10,16H,2-3,8H2,1H3
InChIKeyQWDNDBOXFXROCA-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.25
Rot. Bonds5

About 1-[4-(trifluoromethyl)phenoxy]pentan-2-ol

1-[4-(trifluoromethyl)phenoxy]pentan-2-ol (PubChem CID 117241736) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenoxy]pentan-2-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
PubChem CID117241736
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
SMILESCCCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3O2/c1-2-3-10(16)8-17-11-6-4-9(5-7-11)12(13,14)15/h4-7,10,16H,2-3,8H2,1H3
InChIKeyQWDNDBOXFXROCA-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 71211206
1-(4-propoxyphenoxy)pentan-2-ol
CID 62041723
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
4-amino-1-(4-tert-butylphenoxy)butan-2-ol
CID 112500941
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
CID 91252951
2-[[4-(trifluoromethyl)phenoxy]methyl]butane-1,4-diol
CID 117236902

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenoxy]pentan-2-ol?
The IUPAC name of 1-[4-(trifluoromethyl)phenoxy]pentan-2-ol (CID 117241736) is 1-[4-(trifluoromethyl)phenoxy]pentan-2-ol.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenoxy]pentan-2-ol?
The canonical SMILES for 1-[4-(trifluoromethyl)phenoxy]pentan-2-ol is CCCC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenoxy]pentan-2-ol?
The InChIKey is QWDNDBOXFXROCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-2-3-10(16)8-17-11-6-4-9(5-7-11)12(13,14)15/h4-7,10,16H,2-3,8H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)phenoxy]pentan-2-ol?
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol has a molecular weight of 248.24 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenoxy]pentan-2-ol is sourced from PubChem (CID 117241736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).