1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene

C9H7ClF4O — CID 86066300

IUPAC1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
SMILESCc1cc(OC(F)(F)C(F)F)ccc1Cl
InChIInChI=1S/C9H7ClF4O/c1-5-4-6(2-3-7(5)10)15-9(13,14)8(11)12/h2-4,8H,1H3
InChIKeyZUCHQFVDUCKMQA-UHFFFAOYSA-N
MW242.60 g/mol
LogP3.89
Rot. Bonds3

About 1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene

1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene (PubChem CID 86066300) has the molecular formula C9H7ClF4O and a molecular weight of 242.60 g/mol. Its IUPAC name is 1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
PubChem CID86066300
Molecular FormulaC9H7ClF4O
Molecular Weight242.60 g/mol
Exact Mass242.01
IUPAC Name1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
SMILESCc1cc(OC(F)(F)C(F)F)ccc1Cl
InChIInChI=1S/C9H7ClF4O/c1-5-4-6(2-3-7(5)10)15-9(13,14)8(11)12/h2-4,8H,1H3
InChIKeyZUCHQFVDUCKMQA-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 ≤ 500242.60
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline
CID 44717352
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
2-(4-chloro-3-methylphenoxy)-2-methylpropanethioamide
CID 82085322
(4-chloro-3-methylphenoxy)-trimethylsilane
CID 13432543
dimethyl 2-(4-chloro-3-methylphenoxy)propanedioate
CID 94697757
1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene
CID 166786212
1-chloro-4-(5-chloropentoxy)-2-methylbenzene
CID 43168547
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
CID 10777512
1-chloro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 170998677
2-[6-[2-chloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine
CID 139724262
1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene
CID 57101918
1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene
CID 67952517

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene?
The IUPAC name of 1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene (CID 86066300) is 1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene.
What is the SMILES notation for 1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene?
The canonical SMILES for 1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene is Cc1cc(OC(F)(F)C(F)F)ccc1Cl.
What is the InChIKey of 1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene?
The InChIKey is ZUCHQFVDUCKMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF4O/c1-5-4-6(2-3-7(5)10)15-9(13,14)8(11)12/h2-4,8H,1H3.
What are the key properties of 1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene?
1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene has a molecular weight of 242.60 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 1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene is sourced from PubChem (CID 86066300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).