1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene

C12H16F2O — CID 91717246

IUPAC1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene
SMILESCC(C)COC(C)c1c(F)cccc1F
InChIInChI=1S/C12H16F2O/c1-8(2)7-15-9(3)12-10(13)5-4-6-11(12)14/h4-6,8-9H,7H2,1-3H3
InChIKeyLZKVFWOMCJBGSZ-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.70
Rot. Bonds4

About 1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene

1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene (PubChem CID 91717246) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene
PubChem CID91717246
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene
SMILESCC(C)COC(C)c1c(F)cccc1F
InChIInChI=1S/C12H16F2O/c1-8(2)7-15-9(3)12-10(13)5-4-6-11(12)14/h4-6,8-9H,7H2,1-3H3
InChIKeyLZKVFWOMCJBGSZ-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-O-[1-(2,6-difluorophenyl)ethyl] 1-O-(2-methylpropyl) butanedioate
CID 91717275
1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene
CID 91711845
1-(2,6-difluorophenyl)ethyl formate
CID 141266097
1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol
CID 114885627
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
tert-butyl-[1-(2,6-difluorophenyl)ethoxy]-dimethylsilane
CID 91734918
2-methylpropyl 2,6-difluorobenzoate
CID 587969
1-(2,6-difluorophenyl)ethanol
CID 5012075
N-[1-(2,6-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191829
1,3-difluoro-2-pentan-3-ylbenzene
CID 123525738
1-(2,6-difluorophenyl)-4-methoxy-3-methylbutan-1-amine
CID 105149316
3-(2,6-difluorophenyl)butane-1-thiol
CID 83925324

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene?
The IUPAC name of 1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene (CID 91717246) is 1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene is CC(C)COC(C)c1c(F)cccc1F.
What is the InChIKey of 1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene?
The InChIKey is LZKVFWOMCJBGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-8(2)7-15-9(3)12-10(13)5-4-6-11(12)14/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene?
1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene has a molecular weight of 214.25 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene is sourced from PubChem (CID 91717246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).