1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene

C10H9F3O — CID 18956451

IUPAC1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene
SMILESCc1ccc(OC(F)=C(F)F)cc1C
InChIInChI=1S/C10H9F3O/c1-6-3-4-8(5-7(6)2)14-10(13)9(11)12/h3-5H,1-2H3
InChIKeyLNKWTPWYZNXIMF-UHFFFAOYSA-N
MW202.17 g/mol
LogP3.72
Rot. Bonds2

About 1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene

1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene (PubChem CID 18956451) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene
PubChem CID18956451
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene
SMILESCc1ccc(OC(F)=C(F)F)cc1C
InChIInChI=1S/C10H9F3O/c1-6-3-4-8(5-7(6)2)14-10(13)9(11)12/h3-5H,1-2H3
InChIKeyLNKWTPWYZNXIMF-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,3,5-tris(1,2,2-trifluoroethenoxy)benzene
CID 122715531
CID 59952153
CID 59952153
4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene
CID 167001306
4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene
CID 14317674
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
bis(3,4-dimethylphenyl) benzene-1,3-dicarboxylate
CID 3126003
1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene
CID 143190699
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
(3,4-dimethylphenyl) 4-(trifluoromethyl)benzoate
CID 91726333
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
(3,4-dimethylphenyl) 4-chlorobenzoate
CID 723826

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene?
The IUPAC name of 1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene (CID 18956451) is 1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene.
What is the SMILES notation for 1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene?
The canonical SMILES for 1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene is Cc1ccc(OC(F)=C(F)F)cc1C.
What is the InChIKey of 1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene?
The InChIKey is LNKWTPWYZNXIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-6-3-4-8(5-7(6)2)14-10(13)9(11)12/h3-5H,1-2H3.
What are the key properties of 1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene?
1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene has a molecular weight of 202.17 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene is sourced from PubChem (CID 18956451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).