1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene

C13H17ClF2O — CID 116841346

IUPAC1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene
SMILESCCC(F)(F)c1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C13H17ClF2O/c1-6-13(15,16)10-9(4)11(14)7(2)8(3)12(10)17-5/h6H2,1-5H3
InChIKeyUGAYZMVKDBBHSQ-UHFFFAOYSA-N
MW262.73 g/mol
LogP4.78
Rot. Bonds3

About 1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene

1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene (PubChem CID 116841346) has the molecular formula C13H17ClF2O and a molecular weight of 262.73 g/mol. Its IUPAC name is 1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene.

Molecular Properties

Compound Name1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene
PubChem CID116841346
Molecular FormulaC13H17ClF2O
Molecular Weight262.73 g/mol
Exact Mass262.09
IUPAC Name1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene
SMILESCCC(F)(F)c1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C13H17ClF2O/c1-6-13(15,16)10-9(4)11(14)7(2)8(3)12(10)17-5/h6H2,1-5H3
InChIKeyUGAYZMVKDBBHSQ-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene?
The IUPAC name of 1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene (CID 116841346) is 1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene.
What is the SMILES notation for 1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene?
The canonical SMILES for 1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene is CCC(F)(F)c1c(C)c(Cl)c(C)c(C)c1OC.
What is the InChIKey of 1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene?
The InChIKey is UGAYZMVKDBBHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF2O/c1-6-13(15,16)10-9(4)11(14)7(2)8(3)12(10)17-5/h6H2,1-5H3.
What are the key properties of 1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene?
1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene has a molecular weight of 262.73 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene is sourced from PubChem (CID 116841346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).