(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene

C12H16F2O — CID 58044547

IUPAC(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
SMILESCC(C)(C)C(F)(F)OCc1ccccc1
InChIInChI=1S/C12H16F2O/c1-11(2,3)12(13,14)15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyDPBBJSSJZMKGEA-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.84
Rot. Bonds3

About (1,1-difluoro-2,2-dimethylpropoxy)methylbenzene

(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene (PubChem CID 58044547) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is (1,1-difluoro-2,2-dimethylpropoxy)methylbenzene.

Molecular Properties

Compound Name(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
PubChem CID58044547
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
SMILESCC(C)(C)C(F)(F)OCc1ccccc1
InChIInChI=1S/C12H16F2O/c1-11(2,3)12(13,14)15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyDPBBJSSJZMKGEA-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
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(2S)-3,3,3-trifluoro-2-methyl-2-phenylmethoxypropanal
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CID 14223230
1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol
CID 14003290
4-methylheptan-4-yloxymethylbenzene
CID 20782055
ethane;2,4,4-trimethylpentan-2-yloxymethylbenzene
CID 158923607
1,1-difluorohexoxymethylbenzene
CID 67797942
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Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2,2-dimethylpropoxy)methylbenzene?
The IUPAC name of (1,1-difluoro-2,2-dimethylpropoxy)methylbenzene (CID 58044547) is (1,1-difluoro-2,2-dimethylpropoxy)methylbenzene.
What is the SMILES notation for (1,1-difluoro-2,2-dimethylpropoxy)methylbenzene?
The canonical SMILES for (1,1-difluoro-2,2-dimethylpropoxy)methylbenzene is CC(C)(C)C(F)(F)OCc1ccccc1.
What is the InChIKey of (1,1-difluoro-2,2-dimethylpropoxy)methylbenzene?
The InChIKey is DPBBJSSJZMKGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-11(2,3)12(13,14)15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of (1,1-difluoro-2,2-dimethylpropoxy)methylbenzene?
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene has a molecular weight of 214.25 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2,2-dimethylpropoxy)methylbenzene is sourced from PubChem (CID 58044547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).