1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol

C9H8ClF3O2 — CID 61081677

IUPAC1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
SMILESCOc1ccc(C(O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C9H8ClF3O2/c1-15-5-2-3-6(7(10)4-5)8(14)9(11,12)13/h2-4,8,14H,1H3
InChIKeyXRDILTZZANPHPJ-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.94
Rot. Bonds2

About 1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol

1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol (PubChem CID 61081677) has the molecular formula C9H8ClF3O2 and a molecular weight of 240.61 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
PubChem CID61081677
Molecular FormulaC9H8ClF3O2
Molecular Weight240.61 g/mol
Exact Mass240.02
IUPAC Name1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
SMILESCOc1ccc(C(O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C9H8ClF3O2/c1-15-5-2-3-6(7(10)4-5)8(14)9(11,12)13/h2-4,8,14H,1H3
InChIKeyXRDILTZZANPHPJ-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 43561856
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309625
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817734
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene
CID 103514539
3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823843
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene
CID 63443367
1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol
CID 104521148

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol (CID 61081677) is 1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol is COc1ccc(C(O)C(F)(F)F)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol?
The InChIKey is XRDILTZZANPHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O2/c1-15-5-2-3-6(7(10)4-5)8(14)9(11,12)13/h2-4,8,14H,1H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol?
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol has a molecular weight of 240.61 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 61081677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).