1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene

C14H20F2O — CID 90450784

IUPAC1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene
SMILESCc1c(OC(C)(F)F)ccc(C(C)(C)C)c1C
InChIInChI=1S/C14H20F2O/c1-9-10(2)12(17-14(6,15)16)8-7-11(9)13(3,4)5/h7-8H,1-6H3
InChIKeyWNEWOSDIRSJZCJ-UHFFFAOYSA-N
MW242.31 g/mol
LogP4.59
Rot. Bonds2

About 1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene

1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene (PubChem CID 90450784) has the molecular formula C14H20F2O and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene
PubChem CID90450784
Molecular FormulaC14H20F2O
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene
SMILESCc1c(OC(C)(F)F)ccc(C(C)(C)C)c1C
InChIInChI=1S/C14H20F2O/c1-9-10(2)12(17-14(6,15)16)8-7-11(9)13(3,4)5/h7-8H,1-6H3
InChIKeyWNEWOSDIRSJZCJ-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene?
The IUPAC name of 1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene (CID 90450784) is 1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene.
What is the SMILES notation for 1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene?
The canonical SMILES for 1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene is Cc1c(OC(C)(F)F)ccc(C(C)(C)C)c1C.
What is the InChIKey of 1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene?
The InChIKey is WNEWOSDIRSJZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O/c1-9-10(2)12(17-14(6,15)16)8-7-11(9)13(3,4)5/h7-8H,1-6H3.
What are the key properties of 1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene?
1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene has a molecular weight of 242.31 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene is sourced from PubChem (CID 90450784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).