1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane

C11H15F3 — CID 165398651

IUPAC1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane
SMILESCC.Cc1cccc(C(C)(F)F)c1F
InChIInChI=1S/C9H9F3.C2H6/c1-6-4-3-5-7(8(6)10)9(2,11)12;1-2/h3-5H,1-2H3;1-2H3
InChIKeyQQWWXEXYIROWNX-UHFFFAOYSA-N
MW204.23 g/mol
LogP4.27
Rot. Bonds1

About 1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane

1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane (PubChem CID 165398651) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane
PubChem CID165398651
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane
SMILESCC.Cc1cccc(C(C)(F)F)c1F
InChIInChI=1S/C9H9F3.C2H6/c1-6-4-3-5-7(8(6)10)9(2,11)12;1-2/h3-5H,1-2H3;1-2H3
InChIKeyQQWWXEXYIROWNX-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane?
The IUPAC name of 1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane (CID 165398651) is 1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane.
What is the SMILES notation for 1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane?
The canonical SMILES for 1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane is CC.Cc1cccc(C(C)(F)F)c1F.
What is the InChIKey of 1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane?
The InChIKey is QQWWXEXYIROWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3.C2H6/c1-6-4-3-5-7(8(6)10)9(2,11)12;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane?
1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane has a molecular weight of 204.23 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane is sourced from PubChem (CID 165398651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).