1-(difluoromethoxy)-4-ethylbenzene;ethane

C13H22F2O — CID 170568946

IUPAC1-(difluoromethoxy)-4-ethylbenzene;ethane
SMILESCC.CC.CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C9H10F2O.2C2H6/c1-2-7-3-5-8(6-4-7)12-9(10)11;2*1-2/h3-6,9H,2H2,1H3;2*1-2H3
InChIKeyHZWSRZLGKCNNME-UHFFFAOYSA-N
MW232.31 g/mol
LogP4.90
Rot. Bonds3

About 1-(difluoromethoxy)-4-ethylbenzene;ethane

1-(difluoromethoxy)-4-ethylbenzene;ethane (PubChem CID 170568946) has the molecular formula C13H22F2O and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-ethylbenzene;ethane.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-ethylbenzene;ethane
PubChem CID170568946
Molecular FormulaC13H22F2O
Molecular Weight232.31 g/mol
Exact Mass232.16
IUPAC Name1-(difluoromethoxy)-4-ethylbenzene;ethane
SMILESCC.CC.CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C9H10F2O.2C2H6/c1-2-7-3-5-8(6-4-7)12-9(10)11;2*1-2/h3-6,9H,2H2,1H3;2*1-2H3
InChIKeyHZWSRZLGKCNNME-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484649
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine
CID 15114080
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
N-[[4-(difluoromethoxy)phenyl]methyl]-2,2-diethoxyethanamine
CID 78910455
3-[4-(difluoromethoxy)phenyl]-1-[(4-ethylphenyl)methyl]-1-methylthiourea
CID 8680660
difluoro(methoxy)methane;ethane;1-ethyl-4-fluorobenzene
CID 143602022
1,4-diethylbenzene;ethane
CID 91207141
difluoromethoxybenzene;ethane
CID 142246454

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-ethylbenzene;ethane?
The IUPAC name of 1-(difluoromethoxy)-4-ethylbenzene;ethane (CID 170568946) is 1-(difluoromethoxy)-4-ethylbenzene;ethane.
What is the SMILES notation for 1-(difluoromethoxy)-4-ethylbenzene;ethane?
The canonical SMILES for 1-(difluoromethoxy)-4-ethylbenzene;ethane is CC.CC.CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-ethylbenzene;ethane?
The InChIKey is HZWSRZLGKCNNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O.2C2H6/c1-2-7-3-5-8(6-4-7)12-9(10)11;2*1-2/h3-6,9H,2H2,1H3;2*1-2H3.
What are the key properties of 1-(difluoromethoxy)-4-ethylbenzene;ethane?
1-(difluoromethoxy)-4-ethylbenzene;ethane has a molecular weight of 232.31 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-ethylbenzene;ethane is sourced from PubChem (CID 170568946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).