4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol

C15H21F3O2 — CID 117241893

IUPAC4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol
SMILESCC(C)(C)CC(CO)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3O2/c1-14(2,3)8-11(9-19)10-20-13-6-4-5-12(7-13)15(16,17)18/h4-7,11,19H,8-10H2,1-3H3
InChIKeyAEKUPCRZDCSBBU-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.13
Rot. Bonds5

About 4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol

4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol (PubChem CID 117241893) has the molecular formula C15H21F3O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol
PubChem CID117241893
Molecular FormulaC15H21F3O2
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol
SMILESCC(C)(C)CC(CO)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3O2/c1-14(2,3)8-11(9-19)10-20-13-6-4-5-12(7-13)15(16,17)18/h4-7,11,19H,8-10H2,1-3H3
InChIKeyAEKUPCRZDCSBBU-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol
CID 117241976
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
(E,2R)-1-[3-(trifluoromethyl)phenoxy]pent-3-en-2-ol
CID 58289073
2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 117244014
3-(3-tert-butylphenoxy)-2-(methylamino)propan-1-ol
CID 64806251
1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol
CID 117244595
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
methyl 2-bromo-3-[3-(trifluoromethyl)phenoxy]propanoate
CID 81092547
1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 110906345

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol (CID 117241893) is 4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol is CC(C)(C)CC(CO)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol?
The InChIKey is AEKUPCRZDCSBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O2/c1-14(2,3)8-11(9-19)10-20-13-6-4-5-12(7-13)15(16,17)18/h4-7,11,19H,8-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol?
4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol has a molecular weight of 290.32 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol is sourced from PubChem (CID 117241893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).