1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane

C17H20F2O — CID 145463800

IUPAC1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane
SMILESCC.CC(COc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C15H14F2O.C2H6/c1-11(12-6-3-2-4-7-12)10-18-15-13(16)8-5-9-14(15)17;1-2/h2-9,11H,10H2,1H3;1-2H3
InChIKeyJXZNJNPZMNAFSM-UHFFFAOYSA-N
MW278.34 g/mol
LogP5.17
Rot. Bonds4

About 1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane

1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane (PubChem CID 145463800) has the molecular formula C17H20F2O and a molecular weight of 278.34 g/mol. Its IUPAC name is 1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane.

Molecular Properties

Compound Name1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane
PubChem CID145463800
Molecular FormulaC17H20F2O
Molecular Weight278.34 g/mol
Exact Mass278.15
IUPAC Name1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane
SMILESCC.CC(COc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C15H14F2O.C2H6/c1-11(12-6-3-2-4-7-12)10-18-15-13(16)8-5-9-14(15)17;1-2/h2-9,11H,10H2,1H3;1-2H3
InChIKeyJXZNJNPZMNAFSM-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.34
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-3-(2-phenylpropoxy)cyclohexa-1,3-diene;ethane
CID 145463781
[(2S)-1-propan-2-yloxypropan-2-yl]benzene
CID 157034832
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide
CID 20524560
2-amino-3-(2,6-difluorophenoxy)propanoic acid
CID 81269565
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605
bis(2-phenylpropoxy)methanol
CID 89428538
4-(2,6-difluorophenoxy)butan-2-ol
CID 81269023
2-phenylpropyl sulfite
CID 123803116
1,3-difluoro-2-(fluoromethoxy)benzene
CID 140973526
1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine
CID 81269441

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane?
The IUPAC name of 1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane (CID 145463800) is 1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane.
What is the SMILES notation for 1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane?
The canonical SMILES for 1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane is CC.CC(COc1c(F)cccc1F)c1ccccc1.
What is the InChIKey of 1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane?
The InChIKey is JXZNJNPZMNAFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O.C2H6/c1-11(12-6-3-2-4-7-12)10-18-15-13(16)8-5-9-14(15)17;1-2/h2-9,11H,10H2,1H3;1-2H3.
What are the key properties of 1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane?
1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane has a molecular weight of 278.34 g/mol, XLogP of 5.17, 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-(2-phenylpropoxy)benzene;ethane is sourced from PubChem (CID 145463800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).