1-(2,2-difluoropropoxy)-2,4-dimethylbenzene

C11H14F2O — CID 121391034

IUPAC1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
SMILESCc1ccc(OCC(C)(F)F)c(C)c1
InChIInChI=1S/C11H14F2O/c1-8-4-5-10(9(2)6-8)14-7-11(3,12)13/h4-6H,7H2,1-3H3
InChIKeyORHPHJARVACTBT-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.34
Rot. Bonds3

About 1-(2,2-difluoropropoxy)-2,4-dimethylbenzene

1-(2,2-difluoropropoxy)-2,4-dimethylbenzene (PubChem CID 121391034) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(2,2-difluoropropoxy)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
PubChem CID121391034
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
SMILESCc1ccc(OCC(C)(F)F)c(C)c1
InChIInChI=1S/C11H14F2O/c1-8-4-5-10(9(2)6-8)14-7-11(3,12)13/h4-6H,7H2,1-3H3
InChIKeyORHPHJARVACTBT-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
3-(2,4-dimethylphenoxy)-2,2-dimethylpropanethioamide
CID 82083934
3-(2,4-dimethylphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79626216
1-(2,4-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336681
1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354127
1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene
CID 155580233
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol
CID 64803684
2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine
CID 90118863
3-methyl-4-(2,2,2-trifluoroethoxy)aniline
CID 43165621
[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride
CID 90118862

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropoxy)-2,4-dimethylbenzene?
The IUPAC name of 1-(2,2-difluoropropoxy)-2,4-dimethylbenzene (CID 121391034) is 1-(2,2-difluoropropoxy)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(2,2-difluoropropoxy)-2,4-dimethylbenzene?
The canonical SMILES for 1-(2,2-difluoropropoxy)-2,4-dimethylbenzene is Cc1ccc(OCC(C)(F)F)c(C)c1.
What is the InChIKey of 1-(2,2-difluoropropoxy)-2,4-dimethylbenzene?
The InChIKey is ORHPHJARVACTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-8-4-5-10(9(2)6-8)14-7-11(3,12)13/h4-6H,7H2,1-3H3.
What are the key properties of 1-(2,2-difluoropropoxy)-2,4-dimethylbenzene?
1-(2,2-difluoropropoxy)-2,4-dimethylbenzene has a molecular weight of 200.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropoxy)-2,4-dimethylbenzene is sourced from PubChem (CID 121391034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).