1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol

C11H10F6O3 — CID 139965700

IUPAC1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1cc(OC(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C11H10F6O3/c1-2-8(18)7-5-6(19-10(12,13)14)3-4-9(7)20-11(15,16)17/h3-5,8,18H,2H2,1H3
InChIKeyXIKHDITVGUKNME-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.93
Rot. Bonds4

About 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol

1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol (PubChem CID 139965700) has the molecular formula C11H10F6O3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol
PubChem CID139965700
Molecular FormulaC11H10F6O3
Molecular Weight304.19 g/mol
Exact Mass304.05
IUPAC Name1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1cc(OC(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C11H10F6O3/c1-2-8(18)7-5-6(19-10(12,13)14)3-4-9(7)20-11(15,16)17/h3-5,8,18H,2H2,1H3
InChIKeyXIKHDITVGUKNME-UHFFFAOYSA-N
XLogP3.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine
CID 139965810
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
CID 82265613
4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene
CID 170998726
(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
CID 66515505
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol
CID 171269353
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
1-bromo-1-[2-ethoxy-5-(trifluoromethoxy)phenyl]propan-2-one
CID 134615762
1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 82262869
2-(1-aminopropyl)-4-(trifluoromethoxy)aniline
CID 112541231
(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171208716
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-one
CID 118807482
(1R,2S)-1-amino-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpentan-2-ol
CID 171266279

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol (CID 139965700) is 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol is CCC(O)c1cc(OC(F)(F)F)ccc1OC(F)(F)F.
What is the InChIKey of 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol?
The InChIKey is XIKHDITVGUKNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O3/c1-2-8(18)7-5-6(19-10(12,13)14)3-4-9(7)20-11(15,16)17/h3-5,8,18H,2H2,1H3.
What are the key properties of 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol?
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol has a molecular weight of 304.19 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 139965700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).