1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol

C10H7F7O2 — CID 156853269

IUPAC1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(COc1ccc(C(F)(F)F)cc1F)C(F)(F)F
InChIInChI=1S/C10H7F7O2/c11-6-3-5(9(12,13)14)1-2-7(6)19-4-8(18)10(15,16)17/h1-3,8,18H,4H2
InChIKeyYXAOIQKTZGSCJH-UHFFFAOYSA-N
MW292.15 g/mol
LogP3.15
Rot. Bonds3

About 1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol

1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 156853269) has the molecular formula C10H7F7O2 and a molecular weight of 292.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID156853269
Molecular FormulaC10H7F7O2
Molecular Weight292.15 g/mol
Exact Mass292.03
IUPAC Name1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(COc1ccc(C(F)(F)F)cc1F)C(F)(F)F
InChIInChI=1S/C10H7F7O2/c11-6-3-5(9(12,13)14)1-2-7(6)19-4-8(18)10(15,16)17/h1-3,8,18H,4H2
InChIKeyYXAOIQKTZGSCJH-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 113389652
1,1,1-trifluoro-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686792
1,1,1-trifluoro-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propan-2-ol
CID 107687401
N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 107303997
3-[4-bromo-2-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899244
4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 107014268
1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]propan-2-ol
CID 78954021
1-[5-methyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]ethanone
CID 63902310
5-methoxy-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 63899578
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 79887799
1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
CID 163970226
2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol
CID 174256185

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol (CID 156853269) is 1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol is OC(COc1ccc(C(F)(F)F)cc1F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is YXAOIQKTZGSCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F7O2/c11-6-3-5(9(12,13)14)1-2-7(6)19-4-8(18)10(15,16)17/h1-3,8,18H,4H2.
What are the key properties of 1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol?
1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 292.15 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 156853269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).