1-(1,1-difluoropropyl)-2,4-dimethoxybenzene

C11H14F2O2 — CID 116841246

IUPAC1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
SMILESCCC(F)(F)c1ccc(OC)cc1OC
InChIInChI=1S/C11H14F2O2/c1-4-11(12,13)9-6-5-8(14-2)7-10(9)15-3/h5-7H,4H2,1-3H3
InChIKeyAPHMXNVHYSWITE-UHFFFAOYSA-N
MW216.23 g/mol
LogP3.21
Rot. Bonds4

About 1-(1,1-difluoropropyl)-2,4-dimethoxybenzene

1-(1,1-difluoropropyl)-2,4-dimethoxybenzene (PubChem CID 116841246) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(1,1-difluoropropyl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
PubChem CID116841246
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
SMILESCCC(F)(F)c1ccc(OC)cc1OC
InChIInChI=1S/C11H14F2O2/c1-4-11(12,13)9-6-5-8(14-2)7-10(9)15-3/h5-7H,4H2,1-3H3
InChIKeyAPHMXNVHYSWITE-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
3-(2,4-dimethoxyphenyl)-2-methylpentan-3-ol
CID 62801618
1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene
CID 116841280
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol
CID 63082925
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
CID 46311605
3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588734
2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine
CID 79008649
2-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-hydroxyiminopropan-2-ol
CID 162538995

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropyl)-2,4-dimethoxybenzene?
The IUPAC name of 1-(1,1-difluoropropyl)-2,4-dimethoxybenzene (CID 116841246) is 1-(1,1-difluoropropyl)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(1,1-difluoropropyl)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(1,1-difluoropropyl)-2,4-dimethoxybenzene is CCC(F)(F)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(1,1-difluoropropyl)-2,4-dimethoxybenzene?
The InChIKey is APHMXNVHYSWITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-4-11(12,13)9-6-5-8(14-2)7-10(9)15-3/h5-7H,4H2,1-3H3.
What are the key properties of 1-(1,1-difluoropropyl)-2,4-dimethoxybenzene?
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene has a molecular weight of 216.23 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropyl)-2,4-dimethoxybenzene is sourced from PubChem (CID 116841246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).