1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene

C13H18F2O — CID 21025673

IUPAC1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene
SMILESCCC(C)(C)Cc1ccccc1OC(F)F
InChIInChI=1S/C13H18F2O/c1-4-13(2,3)9-10-7-5-6-8-11(10)16-12(14)15/h5-8,12H,4,9H2,1-3H3
InChIKeyWDMJMJJYPIFHJU-UHFFFAOYSA-N
MW228.28 g/mol
LogP4.27
Rot. Bonds5

About 1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene

1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene (PubChem CID 21025673) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene
PubChem CID21025673
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene
SMILESCCC(C)(C)Cc1ccccc1OC(F)F
InChIInChI=1S/C13H18F2O/c1-4-13(2,3)9-10-7-5-6-8-11(10)16-12(14)15/h5-8,12H,4,9H2,1-3H3
InChIKeyWDMJMJJYPIFHJU-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol
CID 111118941
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline
CID 60924885
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103702078
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
CID 115666360
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile
CID 159199429
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
CID 64866201
2-methyl-1-(2-propan-2-yloxyphenyl)propane-2-thiol
CID 171921851
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene (CID 21025673) is 1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene is CCC(C)(C)Cc1ccccc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene?
The InChIKey is WDMJMJJYPIFHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-4-13(2,3)9-10-7-5-6-8-11(10)16-12(14)15/h5-8,12H,4,9H2,1-3H3.
What are the key properties of 1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene?
1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene has a molecular weight of 228.28 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene is sourced from PubChem (CID 21025673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).