ethane;1-ethoxy-3,5-difluoro-2-methylbenzene

C11H16F2O — CID 169134909

IUPACethane;1-ethoxy-3,5-difluoro-2-methylbenzene
SMILESCC.CCOc1cc(F)cc(F)c1C
InChIInChI=1S/C9H10F2O.C2H6/c1-3-12-9-5-7(10)4-8(11)6(9)2;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyBEKUVVPYUXNGSC-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.70
Rot. Bonds2

About ethane;1-ethoxy-3,5-difluoro-2-methylbenzene

ethane;1-ethoxy-3,5-difluoro-2-methylbenzene (PubChem CID 169134909) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is ethane;1-ethoxy-3,5-difluoro-2-methylbenzene.

Molecular Properties

Compound Nameethane;1-ethoxy-3,5-difluoro-2-methylbenzene
PubChem CID169134909
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Nameethane;1-ethoxy-3,5-difluoro-2-methylbenzene
SMILESCC.CCOc1cc(F)cc(F)c1C
InChIInChI=1S/C9H10F2O.C2H6/c1-3-12-9-5-7(10)4-8(11)6(9)2;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyBEKUVVPYUXNGSC-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-3-fluoro-2,5-dimethylbenzene
CID 59933400
2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane
CID 169135247
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
ethane;1-ethoxy-3-fluoro-2-methylbenzene
CID 143520005
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene
CID 169135949
1-ethoxy-2,5-difluoro-4-methylbenzene
CID 58718803
1,2-diethoxy-5-fluoro-3-iodobenzene
CID 164896082
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
2-ethoxy-4-fluoro-5-methylphenol
CID 125115951
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxy-3,5-difluoro-2-methylbenzene?
The IUPAC name of ethane;1-ethoxy-3,5-difluoro-2-methylbenzene (CID 169134909) is ethane;1-ethoxy-3,5-difluoro-2-methylbenzene.
What is the SMILES notation for ethane;1-ethoxy-3,5-difluoro-2-methylbenzene?
The canonical SMILES for ethane;1-ethoxy-3,5-difluoro-2-methylbenzene is CC.CCOc1cc(F)cc(F)c1C.
What is the InChIKey of ethane;1-ethoxy-3,5-difluoro-2-methylbenzene?
The InChIKey is BEKUVVPYUXNGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O.C2H6/c1-3-12-9-5-7(10)4-8(11)6(9)2;1-2/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethoxy-3,5-difluoro-2-methylbenzene?
ethane;1-ethoxy-3,5-difluoro-2-methylbenzene has a molecular weight of 202.24 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxy-3,5-difluoro-2-methylbenzene is sourced from PubChem (CID 169134909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).