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

C14H19F3O2 — CID 117241739

IUPAC4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
SMILESCC(C)(C)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3O2/c1-13(2,3)8-11(18)9-19-12-6-4-10(5-7-12)14(15,16)17/h4-7,11,18H,8-9H2,1-3H3
InChIKeyBZJSESWXKZYJNB-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.88
Rot. Bonds4

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

4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol (PubChem CID 117241739) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
PubChem CID117241739
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
SMILESCC(C)(C)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3O2/c1-13(2,3)8-11(18)9-19-12-6-4-10(5-7-12)14(15,16)17/h4-7,11,18H,8-9H2,1-3H3
InChIKeyBZJSESWXKZYJNB-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
4,4-dimethyl-1-[4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 135138979
(2R)-4,4-dimethyl-1-(4-methylsulfonylphenoxy)pentan-2-ol
CID 59667958
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-[2-(bromomethyl)-3,3-dimethylbutoxy]-4-(trifluoromethyl)benzene
CID 65016574
1-[4-[2-[4-(2,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]butan-2-ol
CID 159432650
1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol
CID 117240158
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
CID 119751777
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol (CID 117241739) is 4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol is CC(C)(C)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol?
The InChIKey is BZJSESWXKZYJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-13(2,3)8-11(18)9-19-12-6-4-10(5-7-12)14(15,16)17/h4-7,11,18H,8-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol?
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol has a molecular weight of 276.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol is sourced from PubChem (CID 117241739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).