3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol

C10H10F4O2 — CID 61087261

IUPAC3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(F)cc1C(O)CC(F)(F)F
InChIInChI=1S/C10H10F4O2/c1-16-9-3-2-6(11)4-7(9)8(15)5-10(12,13)14/h2-4,8,15H,5H2,1H3
InChIKeyHACYYFVHEVAZEI-UHFFFAOYSA-N
MW238.18 g/mol
LogP2.82
Rot. Bonds3

About 3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol

3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol (PubChem CID 61087261) has the molecular formula C10H10F4O2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
PubChem CID61087261
Molecular FormulaC10H10F4O2
Molecular Weight238.18 g/mol
Exact Mass238.06
IUPAC Name3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(F)cc1C(O)CC(F)(F)F
InChIInChI=1S/C10H10F4O2/c1-16-9-3-2-6(11)4-7(9)8(15)5-10(12,13)14/h2-4,8,15H,5H2,1H3
InChIKeyHACYYFVHEVAZEI-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027670
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61087087
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 61082565
3-bromo-1-(5-fluoro-2-methoxyphenyl)propane-1,2-diol
CID 171859876
1-(4-bromo-2,5-dimethoxyphenyl)-3,3,3-trifluoropropan-1-ol
CID 105057029
(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol
CID 142421091
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105122379
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol (CID 61087261) is 3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol is COc1ccc(F)cc1C(O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol?
The InChIKey is HACYYFVHEVAZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O2/c1-16-9-3-2-6(11)4-7(9)8(15)5-10(12,13)14/h2-4,8,15H,5H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol?
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol has a molecular weight of 238.18 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 61087261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).