1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene

C12H16F2O — CID 116841280

IUPAC1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene
SMILESCCC(F)(F)c1ccc(OC)c(C)c1C
InChIInChI=1S/C12H16F2O/c1-5-12(13,14)10-6-7-11(15-4)9(3)8(10)2/h6-7H,5H2,1-4H3
InChIKeyOQOUWFUXAGMIIU-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.81
Rot. Bonds3

About 1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene

1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene (PubChem CID 116841280) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene
PubChem CID116841280
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene
SMILESCCC(F)(F)c1ccc(OC)c(C)c1C
InChIInChI=1S/C12H16F2O/c1-5-12(13,14)10-6-7-11(15-4)9(3)8(10)2/h6-7H,5H2,1-4H3
InChIKeyOQOUWFUXAGMIIU-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-difluoro-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 116838454
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 116838820
2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol
CID 83958906
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
3-amino-3-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 82291925
methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
CID 162581639
1-(1,1-difluoropropyl)-2,4-dimethylbenzene
CID 116841228
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine
CID 115261451
4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene
CID 116841304

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene?
The IUPAC name of 1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene (CID 116841280) is 1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene.
What is the SMILES notation for 1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene?
The canonical SMILES for 1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene is CCC(F)(F)c1ccc(OC)c(C)c1C.
What is the InChIKey of 1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene?
The InChIKey is OQOUWFUXAGMIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-5-12(13,14)10-6-7-11(15-4)9(3)8(10)2/h6-7H,5H2,1-4H3.
What are the key properties of 1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene?
1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene has a molecular weight of 214.25 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene is sourced from PubChem (CID 116841280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).