ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol

C14H21F3O2 — CID 143267662

IUPACethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol
SMILESCC.CCCC(O)Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3O2.C2H6/c1-2-4-10(16)7-9-5-3-6-11(8-9)17-12(13,14)15;1-2/h3,5-6,8,10,16H,2,4,7H2,1H3;1-2H3
InChIKeyBVORATLFYXEETG-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.31
Rot. Bonds5

About ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol

ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol (PubChem CID 143267662) has the molecular formula C14H21F3O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol.

Molecular Properties

Compound Nameethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol
PubChem CID143267662
Molecular FormulaC14H21F3O2
Molecular Weight278.31 g/mol
Exact Mass278.15
IUPAC Nameethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol
SMILESCC.CCCC(O)Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3O2.C2H6/c1-2-4-10(16)7-9-5-3-6-11(8-9)17-12(13,14)15;1-2/h3,5-6,8,10,16H,2,4,7H2,1H3;1-2H3
InChIKeyBVORATLFYXEETG-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
CID 64513226
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
(2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol
CID 71163703
2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 66848411
ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785
1-[3-(trifluoromethoxy)phenyl]hexan-3-amine
CID 64505790
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361
2-methyl-3-[3-(trifluoromethoxy)phenyl]propanal
CID 64666640
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
CID 142185562

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol?
The IUPAC name of ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol (CID 143267662) is ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol.
What is the SMILES notation for ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol?
The canonical SMILES for ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol is CC.CCCC(O)Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol?
The InChIKey is BVORATLFYXEETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2.C2H6/c1-2-4-10(16)7-9-5-3-6-11(8-9)17-12(13,14)15;1-2/h3,5-6,8,10,16H,2,4,7H2,1H3;1-2H3.
What are the key properties of ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol?
ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol has a molecular weight of 278.31 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol is sourced from PubChem (CID 143267662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).