1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane

C10H11ClF4 — CID 145381877

IUPAC1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane
SMILESCC.Cc1cc(Cl)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C8H5ClF4.C2H6/c1-4-2-5(8(11,12)13)7(10)6(9)3-4;1-2/h2-3H,1H3;1-2H3
InChIKeyREYKPEIQLGTUHV-UHFFFAOYSA-N
MW242.64 g/mol
LogP4.83
Rot. Bonds

About 1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane

1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane (PubChem CID 145381877) has the molecular formula C10H11ClF4 and a molecular weight of 242.64 g/mol. Its IUPAC name is 1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane.

Molecular Properties

Compound Name1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane
PubChem CID145381877
Molecular FormulaC10H11ClF4
Molecular Weight242.64 g/mol
Exact Mass242.05
IUPAC Name1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane
SMILESCC.Cc1cc(Cl)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C8H5ClF4.C2H6/c1-4-2-5(8(11,12)13)7(10)6(9)3-4;1-2/h2-3H,1H3;1-2H3
InChIKeyREYKPEIQLGTUHV-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane?
The IUPAC name of 1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane (CID 145381877) is 1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane.
What is the SMILES notation for 1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane?
The canonical SMILES for 1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane is CC.Cc1cc(Cl)c(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane?
The InChIKey is REYKPEIQLGTUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4.C2H6/c1-4-2-5(8(11,12)13)7(10)6(9)3-4;1-2/h2-3H,1H3;1-2H3.
What are the key properties of 1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane?
1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane has a molecular weight of 242.64 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane is sourced from PubChem (CID 145381877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).