1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene

C11H14F2O — CID 58402522

IUPAC1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene
SMILESCCOc1ccc(F)c(C(C)C)c1F
InChIInChI=1S/C11H14F2O/c1-4-14-9-6-5-8(12)10(7(2)3)11(9)13/h5-7H,4H2,1-3H3
InChIKeyKXROFGRYKZSKHF-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.49
Rot. Bonds3

About 1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene

1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene (PubChem CID 58402522) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene
PubChem CID58402522
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene
SMILESCCOc1ccc(F)c(C(C)C)c1F
InChIInChI=1S/C11H14F2O/c1-4-14-9-6-5-8(12)10(7(2)3)11(9)13/h5-7H,4H2,1-3H3
InChIKeyKXROFGRYKZSKHF-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

(4-ethoxy-2,3-difluorophenoxy)-oxoborane
CID 139945985
6-ethoxy-2,3-difluorobenzonitrile
CID 119017576
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
1-(2,3,4-trifluorophenoxy)propan-2-amine
CID 83396701
2-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82799142
2-(4-ethoxy-2,3-difluorophenyl)selenophene
CID 59456301
(3-ethoxy-5-fluoro-4-propan-2-ylphenyl)methanediol
CID 170123183
2,4-difluoro-3-propan-2-ylphenol
CID 147438122
(4-ethoxy-2,3-difluorophenyl)-trimethylsilane
CID 15751975
(3,6-diethoxy-2-fluorophenyl)methanol
CID 164895475
1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene
CID 71055564
1-butoxy-2,3,4-trifluorobenzene
CID 53441447

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene?
The IUPAC name of 1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene (CID 58402522) is 1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene.
What is the SMILES notation for 1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene?
The canonical SMILES for 1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene is CCOc1ccc(F)c(C(C)C)c1F.
What is the InChIKey of 1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene?
The InChIKey is KXROFGRYKZSKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-4-14-9-6-5-8(12)10(7(2)3)11(9)13/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene?
1-ethoxy-2,4-difluoro-3-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-3-propan-2-ylbenzene is sourced from PubChem (CID 58402522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).