2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane

C13H20F2O — CID 144811143

IUPAC2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane
SMILESCC.CCC(C)(C)Oc1ccc(F)cc1F
InChIInChI=1S/C11H14F2O.C2H6/c1-4-11(2,3)14-10-6-5-8(12)7-9(10)13;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyLPTGJAZPCDEGPB-UHFFFAOYSA-N
MW230.30 g/mol
LogP4.56
Rot. Bonds3

About 2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane

2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane (PubChem CID 144811143) has the molecular formula C13H20F2O and a molecular weight of 230.30 g/mol. Its IUPAC name is 2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane.

Molecular Properties

Compound Name2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane
PubChem CID144811143
Molecular FormulaC13H20F2O
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane
SMILESCC.CCC(C)(C)Oc1ccc(F)cc1F
InChIInChI=1S/C11H14F2O.C2H6/c1-4-11(2,3)14-10-6-5-8(12)7-9(10)13;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyLPTGJAZPCDEGPB-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-(2-methylbutan-2-yloxy)phenol
CID 169297946
4-fluoro-2-(2-methylbutan-2-yloxy)aniline
CID 62377670
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
CID 144811052
N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 43285833
[3-fluoro-4-(2-methylbutan-2-yloxy)phenyl] 2,2-dimethylbutanoate
CID 164747807
2-(2,4-difluorophenoxy)-2-methylpropanenitrile
CID 57467467
11-[3-fluoro-4-(2-methylbutan-2-yloxy)phenoxy]undecan-1-ol
CID 169297977
N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine
CID 62572855
1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene
CID 130313798
CID 90172514
CID 90172514
2-fluoro-6-(2-methylbutan-2-yloxy)benzonitrile
CID 79513130

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane?
The IUPAC name of 2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane (CID 144811143) is 2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane.
What is the SMILES notation for 2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane?
The canonical SMILES for 2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane is CC.CCC(C)(C)Oc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane?
The InChIKey is LPTGJAZPCDEGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O.C2H6/c1-4-11(2,3)14-10-6-5-8(12)7-9(10)13;1-2/h5-7H,4H2,1-3H3;1-2H3.
What are the key properties of 2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane?
2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane has a molecular weight of 230.30 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane is sourced from PubChem (CID 144811143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).