2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol

C12H15F3O3 — CID 154277404

IUPAC2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol
SMILESCCC(O)C(C)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3O3/c1-3-11(16)8(2)17-9-4-6-10(7-5-9)18-12(13,14)15/h4-8,11,16H,3H2,1-2H3
InChIKeyXSJUAUFGGBLLTC-UHFFFAOYSA-N
MW264.24 g/mol
LogP3.12
Rot. Bonds5

About 2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol

2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol (PubChem CID 154277404) has the molecular formula C12H15F3O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol
PubChem CID154277404
Molecular FormulaC12H15F3O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC Name2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol
SMILESCCC(O)C(C)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3O3/c1-3-11(16)8(2)17-9-4-6-10(7-5-9)18-12(13,14)15/h4-8,11,16H,3H2,1-2H3
InChIKeyXSJUAUFGGBLLTC-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 79566446
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 115787256
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
propan-2-ol;trifluoromethoxybenzene
CID 161029707
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 107892620
ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate
CID 113497366
[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide
CID 162105991
1-(1-bromopropyl)-4-(trifluoromethoxy)benzene
CID 53466431
N-(3-methylpentan-2-yl)-4-(trifluoromethoxy)aniline
CID 43095630
butan-2-yloxy-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]phosphinic acid
CID 88750216
2-(3-hydroxybutan-2-yloxy)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 103377943
3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
CID 65148408

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol?
The IUPAC name of 2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol (CID 154277404) is 2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol is CCC(O)C(C)Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol?
The InChIKey is XSJUAUFGGBLLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O3/c1-3-11(16)8(2)17-9-4-6-10(7-5-9)18-12(13,14)15/h4-8,11,16H,3H2,1-2H3.
What are the key properties of 2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol?
2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol has a molecular weight of 264.24 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol is sourced from PubChem (CID 154277404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).