(2,2,2-trifluoro-1-methoxyethyl)benzene

C9H9F3O — CID 15275027

IUPAC(2,2,2-trifluoro-1-methoxyethyl)benzene
SMILESCOC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H9F3O/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyCPXCVHQRBSRBKE-UHFFFAOYSA-N
MW190.16 g/mol
LogP2.94
Rot. Bonds2

About (2,2,2-trifluoro-1-methoxyethyl)benzene

(2,2,2-trifluoro-1-methoxyethyl)benzene (PubChem CID 15275027) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is (2,2,2-trifluoro-1-methoxyethyl)benzene.

Molecular Properties

Compound Name(2,2,2-trifluoro-1-methoxyethyl)benzene
PubChem CID15275027
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name(2,2,2-trifluoro-1-methoxyethyl)benzene
SMILESCOC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H9F3O/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyCPXCVHQRBSRBKE-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-2,2-difluoro-1-methoxyethyl)benzene
CID 165349696
[(1R)-2,2,2-trifluoro-1-phenylethyl] hypoiodite
CID 90048095
trimethyl-(2,2,2-trifluoro-1-phenylethoxy)silane
CID 11218868
3-(2,2,2-trifluoro-1-methoxyethyl)aniline
CID 68987189
N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine
CID 84737499
(2,2,2-trifluoro-1-phenylethyl) hydrogen carbonate
CID 90981293
2-methyl-2-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]propanoic acid
CID 84738899
(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol
CID 14871890
4-methoxy-3,3-dimethyl-4-phenylbutan-2-one
CID 10420523
3-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]propan-1-amine
CID 84737494
1,1,1,5,5,5-hexafluoro-4-methoxy-3-phenylpentan-2-ol
CID 174318334
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277

Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoro-1-methoxyethyl)benzene?
The IUPAC name of (2,2,2-trifluoro-1-methoxyethyl)benzene (CID 15275027) is (2,2,2-trifluoro-1-methoxyethyl)benzene.
What is the SMILES notation for (2,2,2-trifluoro-1-methoxyethyl)benzene?
The canonical SMILES for (2,2,2-trifluoro-1-methoxyethyl)benzene is COC(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2,2,2-trifluoro-1-methoxyethyl)benzene?
The InChIKey is CPXCVHQRBSRBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of (2,2,2-trifluoro-1-methoxyethyl)benzene?
(2,2,2-trifluoro-1-methoxyethyl)benzene has a molecular weight of 190.16 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoro-1-methoxyethyl)benzene is sourced from PubChem (CID 15275027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).