2-chloro-4-methyl-1-(trifluoromethoxy)benzene

C8H6ClF3O — CID 19102259

IUPAC2-chloro-4-methyl-1-(trifluoromethoxy)benzene
SMILESCc1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H6ClF3O/c1-5-2-3-7(6(9)4-5)13-8(10,11)12/h2-4H,1H3
InChIKeyZLALBYGRUCKRIQ-UHFFFAOYSA-N
MW210.58 g/mol
LogP3.55
Rot. Bonds1

About 2-chloro-4-methyl-1-(trifluoromethoxy)benzene

2-chloro-4-methyl-1-(trifluoromethoxy)benzene (PubChem CID 19102259) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is 2-chloro-4-methyl-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-chloro-4-methyl-1-(trifluoromethoxy)benzene
PubChem CID19102259
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name2-chloro-4-methyl-1-(trifluoromethoxy)benzene
SMILESCc1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H6ClF3O/c1-5-2-3-7(6(9)4-5)13-8(10,11)12/h2-4H,1H3
InChIKeyZLALBYGRUCKRIQ-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.58
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Chloro-2-methoxy-4-methylbenzene
CID 99352
3-Chloro-4-methoxytoluene
CID 140873
1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 6110518
4-(Trifluoromethoxy)benzyl Chloride
CID 2777261
1-Chloro-2-(trifluoromethoxy)benzene
CID 2782782
3-Chloro-4-methoxybenzonitrile
CID 4323105
(3-Chloro-4-methoxyphenyl)methanol
CID 4312004
3-Chloro-4-(trifluoromethoxy)benzonitrile
CID 2773846
1-[3-Chloro-4-(trifluoromethoxy)phenyl]methanamine
CID 53414455
2-Chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene
CID 155146174
2-Chloro-4-(trifluoromethyl)phenol
CID 2736603
4-(Bromomethyl)-2-chloro-1-methoxybenzene
CID 11470370

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1-(trifluoromethoxy)benzene?
The IUPAC name of 2-chloro-4-methyl-1-(trifluoromethoxy)benzene (CID 19102259) is 2-chloro-4-methyl-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-chloro-4-methyl-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2-chloro-4-methyl-1-(trifluoromethoxy)benzene is Cc1ccc(OC(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-1-(trifluoromethoxy)benzene?
The InChIKey is ZLALBYGRUCKRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O/c1-5-2-3-7(6(9)4-5)13-8(10,11)12/h2-4H,1H3.
What are the key properties of 2-chloro-4-methyl-1-(trifluoromethoxy)benzene?
2-chloro-4-methyl-1-(trifluoromethoxy)benzene has a molecular weight of 210.58 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 19102259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).