1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene

C11H14F2O — CID 71055564

IUPAC1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene
SMILESCCOc1cc(C(C)C)c(F)cc1F
InChIInChI=1S/C11H14F2O/c1-4-14-11-5-8(7(2)3)9(12)6-10(11)13/h5-7H,4H2,1-3H3
InChIKeyLQOHAYZWQAKNEK-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.49
Rot. Bonds3

About 1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene

1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene (PubChem CID 71055564) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene
PubChem CID71055564
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene
SMILESCCOc1cc(C(C)C)c(F)cc1F
InChIInChI=1S/C11H14F2O/c1-4-14-11-5-8(7(2)3)9(12)6-10(11)13/h5-7H,4H2,1-3H3
InChIKeyLQOHAYZWQAKNEK-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-diethoxy-2,5-difluorobenzene
CID 58718970
5-ethoxy-2,4-difluorophenol
CID 125116194
1-ethoxy-2,5-difluoro-4-methylbenzene
CID 58718803
3-(4,5-diethoxy-2-fluorophenyl)butane-1-thiol
CID 83923057
(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
CID 152963520
3-(4,5-diethoxy-2-fluorophenyl)butanethioamide
CID 83923104
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
4-ethoxy-2-ethylsulfanyl-5-fluoroaniline
CID 63592722
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288733
5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane
CID 156713123

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene?
The IUPAC name of 1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene (CID 71055564) is 1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene.
What is the SMILES notation for 1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene?
The canonical SMILES for 1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene is CCOc1cc(C(C)C)c(F)cc1F.
What is the InChIKey of 1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene?
The InChIKey is LQOHAYZWQAKNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-4-14-11-5-8(7(2)3)9(12)6-10(11)13/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene?
1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene has a molecular weight of 200.23 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene is sourced from PubChem (CID 71055564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).