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

C9H8ClF3O — CID 11117705

IUPAC(1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene
SMILESCOC(F)(F)C(F)(Cl)c1ccccc1
InChIInChI=1S/C9H8ClF3O/c1-14-9(12,13)8(10,11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyQPBCSYYLXFBCDZ-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.29
Rot. Bonds3

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

(1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene (PubChem CID 11117705) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is (1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene.

Molecular Properties

Compound Name(1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene
PubChem CID11117705
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name(1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene
SMILESCOC(F)(F)C(F)(Cl)c1ccccc1
InChIInChI=1S/C9H8ClF3O/c1-14-9(12,13)8(10,11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyQPBCSYYLXFBCDZ-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Methyl phenethyl ether
CID 19089
2-(Difluoromethoxy)ethylbenzene
CID 68508698
3-(Trifluoromethoxy)propylbenzene
CID 23242775
2-Fluorophenethyl alcohol, methyl ether
CID 53917697
1-Fluoro-4-(2-methoxyethyl)benzene
CID 57143059
(4,4-Difluoro-3-methoxy-but-3-enyl)-benzene
CID 10943449
(1,1-Difluoro-2-ethoxyallyl)benzene
CID 11106316
1-Fluoro-3-(2-methoxyethyl)benzene
CID 57227861
1-(2-Methoxyethyl)-4-(trifluoromethyl)benzene
CID 71122449
3-Phenylpropyl(difluoromethyl) ether
CID 102340465
(1-Chloro-3-methoxypropyl)benzene
CID 592345
Methoxymethylbenzyl chloride
CID 14269118

Frequently Asked Questions

What is the IUPAC name of (1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene?
The IUPAC name of (1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene (CID 11117705) is (1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene.
What is the SMILES notation for (1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene?
The canonical SMILES for (1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene is COC(F)(F)C(F)(Cl)c1ccccc1.
What is the InChIKey of (1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene?
The InChIKey is QPBCSYYLXFBCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c1-14-9(12,13)8(10,11)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of (1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene?
(1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene has a molecular weight of 224.61 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-1,2,2-trifluoro-2-methoxyethyl)benzene is sourced from PubChem (CID 11117705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).