2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene

C14H20F2O — CID 116841497

IUPAC2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene
SMILESCOc1c(C)c(C)cc(C)c1C(F)(F)C(C)C
InChIInChI=1S/C14H20F2O/c1-8(2)14(15,16)12-10(4)7-9(3)11(5)13(12)17-6/h7-8H,1-6H3
InChIKeyNTCNHIHZFDOLHU-UHFFFAOYSA-N
MW242.31 g/mol
LogP4.37
Rot. Bonds3

About 2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene

2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene (PubChem CID 116841497) has the molecular formula C14H20F2O and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene
PubChem CID116841497
Molecular FormulaC14H20F2O
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene
SMILESCOc1c(C)c(C)cc(C)c1C(F)(F)C(C)C
InChIInChI=1S/C14H20F2O/c1-8(2)14(15,16)12-10(4)7-9(3)11(5)13(12)17-6/h7-8H,1-6H3
InChIKeyNTCNHIHZFDOLHU-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116838627
(1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol
CID 129384114
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
CID 116963118
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid
CID 116962917
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846
2-[[2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131588
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116863758
1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102
1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine
CID 116839351
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044095
2-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-methylbutanoic acid
CID 116930731

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene?
The IUPAC name of 2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene (CID 116841497) is 2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene.
What is the SMILES notation for 2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene?
The canonical SMILES for 2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene is COc1c(C)c(C)cc(C)c1C(F)(F)C(C)C.
What is the InChIKey of 2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene?
The InChIKey is NTCNHIHZFDOLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O/c1-8(2)14(15,16)12-10(4)7-9(3)11(5)13(12)17-6/h7-8H,1-6H3.
What are the key properties of 2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene?
2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene has a molecular weight of 242.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene is sourced from PubChem (CID 116841497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).