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

C13H17F3O3 — CID 115919540

IUPAC3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3O3/c1-3-12(17,4-2)9-18-10-5-7-11(8-6-10)19-13(14,15)16/h5-8,17H,3-4,9H2,1-2H3
InChIKeyDDPAUAUXHGOKLO-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.52
Rot. Bonds6

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

3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol (PubChem CID 115919540) has the molecular formula C13H17F3O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol
PubChem CID115919540
Molecular FormulaC13H17F3O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3O3/c1-3-12(17,4-2)9-18-10-5-7-11(8-6-10)19-13(14,15)16/h5-8,17H,3-4,9H2,1-2H3
InChIKeyDDPAUAUXHGOKLO-UHFFFAOYSA-N
XLogP3.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pentan-3-ol
CID 104930422
1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one
CID 114493928
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
3-ethyl-3-hydroxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 103446982
N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
CID 18972791
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
5-[4-(trifluoromethoxy)phenoxy]pentan-2-one
CID 113497431
1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene
CID 134341639
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
N-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pentan-3-amine
CID 115667747
(4S)-5-[4-[[4-(2-ethyl-2-hydroxybutoxy)phenyl]-dimethylsilyl]phenoxy]-4-hydroxypentanoic acid
CID 175668077

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol (CID 115919540) is 3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol is CCC(O)(CC)COc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol?
The InChIKey is DDPAUAUXHGOKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O3/c1-3-12(17,4-2)9-18-10-5-7-11(8-6-10)19-13(14,15)16/h5-8,17H,3-4,9H2,1-2H3.
What are the key properties of 3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol?
3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol has a molecular weight of 278.27 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 115919540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).