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

C10H12F4 — CID 143902908

IUPACethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene
SMILESCC.Cc1cccc(F)c1C(F)(F)F
InChIInChI=1S/C8H6F4.C2H6/c1-5-3-2-4-6(9)7(5)8(10,11)12;1-2/h2-4H,1H3;1-2H3
InChIKeyJYFQOIMVMJHQGP-UHFFFAOYSA-N
MW208.20 g/mol
LogP4.18
Rot. Bonds

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

ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene (PubChem CID 143902908) has the molecular formula C10H12F4 and a molecular weight of 208.20 g/mol. Its IUPAC name is ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Nameethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene
PubChem CID143902908
Molecular FormulaC10H12F4
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Nameethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene
SMILESCC.Cc1cccc(F)c1C(F)(F)F
InChIInChI=1S/C8H6F4.C2H6/c1-5-3-2-4-6(9)7(5)8(10,11)12;1-2/h2-4H,1H3;1-2H3
InChIKeyJYFQOIMVMJHQGP-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene (CID 143902908) is ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene is CC.Cc1cccc(F)c1C(F)(F)F.
What is the InChIKey of ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene?
The InChIKey is JYFQOIMVMJHQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4.C2H6/c1-5-3-2-4-6(9)7(5)8(10,11)12;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene?
ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene has a molecular weight of 208.20 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 143902908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).