2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene

C10H10ClF3O — CID 170998693

IUPAC2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene
SMILESCCc1ccc(OC(F)(F)F)cc1CCl
InChIInChI=1S/C10H10ClF3O/c1-2-7-3-4-9(5-8(7)6-11)15-10(12,13)14/h3-5H,2,6H2,1H3
InChIKeyBCXZPHHMCZLAMH-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.89
Rot. Bonds3

About 2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene

2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene (PubChem CID 170998693) has the molecular formula C10H10ClF3O and a molecular weight of 238.64 g/mol. Its IUPAC name is 2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene
PubChem CID170998693
Molecular FormulaC10H10ClF3O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene
SMILESCCc1ccc(OC(F)(F)F)cc1CCl
InChIInChI=1S/C10H10ClF3O/c1-2-7-3-4-9(5-8(7)6-11)15-10(12,13)14/h3-5H,2,6H2,1H3
InChIKeyBCXZPHHMCZLAMH-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.89
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

1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
1-bromo-3-[2-(chloromethyl)-4-(trifluoromethoxy)phenyl]propan-2-one
CID 134616058
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
1-(chloromethyl)-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 170552809
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene
CID 174897462
2-(chloromethyl)-4-ethyl-1-(trifluoromethoxy)benzene
CID 170998699
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
2-methyl-1-propyl-4-(trifluoromethoxy)benzene
CID 118269891
1-(3-chloropropyl)-2-fluoro-4-(trifluoromethoxy)benzene
CID 118813230
[2-ethoxy-4-(trifluoromethoxy)phenyl]methanol
CID 170997954

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene (CID 170998693) is 2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene is CCc1ccc(OC(F)(F)F)cc1CCl.
What is the InChIKey of 2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene?
The InChIKey is BCXZPHHMCZLAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O/c1-2-7-3-4-9(5-8(7)6-11)15-10(12,13)14/h3-5H,2,6H2,1H3.
What are the key properties of 2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene?
2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene has a molecular weight of 238.64 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 170998693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).