ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene

C13H20F4O — CID 145227334

IUPACethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
SMILESCC.CC.Cc1ccc(F)c(OCC(F)(F)F)c1
InChIInChI=1S/C9H8F4O.2C2H6/c1-6-2-3-7(10)8(4-6)14-5-9(11,12)13;2*1-2/h2-4H,5H2,1H3;2*1-2H3
InChIKeyJZJHSPPITXYOPP-UHFFFAOYSA-N
MW268.29 g/mol
LogP5.13
Rot. Bonds2

About ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene

ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene (PubChem CID 145227334) has the molecular formula C13H20F4O and a molecular weight of 268.29 g/mol. Its IUPAC name is ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
PubChem CID145227334
Molecular FormulaC13H20F4O
Molecular Weight268.29 g/mol
Exact Mass268.15
IUPAC Nameethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
SMILESCC.CC.Cc1ccc(F)c(OCC(F)(F)F)c1
InChIInChI=1S/C9H8F4O.2C2H6/c1-6-2-3-7(10)8(4-6)14-5-9(11,12)13;2*1-2/h2-4H,5H2,1H3;2*1-2H3
InChIKeyJZJHSPPITXYOPP-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.29
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)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

1-fluoro-4-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 115518687
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
2-(2-bromo-3,3,3-trifluoropropoxy)-1-fluoro-4-methylbenzene
CID 64855013
3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile
CID 64853489
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
CID 79173807
N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 63323237
2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103067314

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene (CID 145227334) is ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene is CC.CC.Cc1ccc(F)c(OCC(F)(F)F)c1.
What is the InChIKey of ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is JZJHSPPITXYOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O.2C2H6/c1-6-2-3-7(10)8(4-6)14-5-9(11,12)13;2*1-2/h2-4H,5H2,1H3;2*1-2H3.
What are the key properties of ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene?
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 268.29 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 145227334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).