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

C10H10F4O2 — CID 104793601

IUPAC1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(CC(O)C(F)(F)F)c1F
InChIInChI=1S/C10H10F4O2/c1-16-7-4-2-3-6(9(7)11)5-8(15)10(12,13)14/h2-4,8,15H,5H2,1H3
InChIKeyOWBGYWFQAFALJD-UHFFFAOYSA-N
MW238.18 g/mol
LogP2.30
Rot. Bonds3

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

1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol (PubChem CID 104793601) has the molecular formula C10H10F4O2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
PubChem CID104793601
Molecular FormulaC10H10F4O2
Molecular Weight238.18 g/mol
Exact Mass238.06
IUPAC Name1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(CC(O)C(F)(F)F)c1F
InChIInChI=1S/C10H10F4O2/c1-16-7-4-2-3-6(9(7)11)5-8(15)10(12,13)14/h2-4,8,15H,5H2,1H3
InChIKeyOWBGYWFQAFALJD-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 104793618
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 106695530
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
CID 104793177
2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115832675
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
2-[(2-fluoro-3-methoxyphenyl)methyl]butanoic acid
CID 104792787
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol
CID 113453955

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol (CID 104793601) is 1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol is COc1cccc(CC(O)C(F)(F)F)c1F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol?
The InChIKey is OWBGYWFQAFALJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O2/c1-16-7-4-2-3-6(9(7)11)5-8(15)10(12,13)14/h2-4,8,15H,5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol?
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol has a molecular weight of 238.18 g/mol, XLogP of 2.30, 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-3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 104793601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).