5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene

C10H7ClF6O — CID 134623064

IUPAC5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene
SMILESCOc1cc(CCl)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H7ClF6O/c1-18-7-3-5(4-11)2-6(9(12,13)14)8(7)10(15,16)17/h2-3H,4H2,1H3
InChIKeyQWNWBSJBMZHJBO-UHFFFAOYSA-N
MW292.61 g/mol
LogP4.47
Rot. Bonds2

About 5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene

5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene (PubChem CID 134623064) has the molecular formula C10H7ClF6O and a molecular weight of 292.61 g/mol. Its IUPAC name is 5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene
PubChem CID134623064
Molecular FormulaC10H7ClF6O
Molecular Weight292.61 g/mol
Exact Mass292.01
IUPAC Name5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene
SMILESCOc1cc(CCl)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H7ClF6O/c1-18-7-3-5(4-11)2-6(9(12,13)14)8(7)10(15,16)17/h2-3H,4H2,1H3
InChIKeyQWNWBSJBMZHJBO-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.61
LogP ≤ 54.47
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

[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol
CID 171014426
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
1-chloro-5-(chloromethyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 171007479
1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 137442942
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
CID 117378332
4-(chloromethyl)-1-propoxy-2-(trifluoromethyl)benzene
CID 63320761
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
4-(chloromethyl)-1-pentoxy-2-(trifluoromethyl)benzene
CID 55224005
2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171028469

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene?
The IUPAC name of 5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene (CID 134623064) is 5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene is COc1cc(CCl)cc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene?
The InChIKey is QWNWBSJBMZHJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF6O/c1-18-7-3-5(4-11)2-6(9(12,13)14)8(7)10(15,16)17/h2-3H,4H2,1H3.
What are the key properties of 5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene?
5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene has a molecular weight of 292.61 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 134623064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).