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

C12H15ClF2O — CID 116841275

IUPAC4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene
SMILESCCC(F)(F)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C12H15ClF2O/c1-5-12(14,15)10-8(3)11(13)7(2)6-9(10)16-4/h6H,5H2,1-4H3
InChIKeyGEUZTUJNJWDXDA-UHFFFAOYSA-N
MW248.70 g/mol
LogP4.47
Rot. Bonds3

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

4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene (PubChem CID 116841275) has the molecular formula C12H15ClF2O and a molecular weight of 248.70 g/mol. Its IUPAC name is 4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene.

Molecular Properties

Compound Name4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene
PubChem CID116841275
Molecular FormulaC12H15ClF2O
Molecular Weight248.70 g/mol
Exact Mass248.08
IUPAC Name4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene
SMILESCCC(F)(F)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C12H15ClF2O/c1-5-12(14,15)10-8(3)11(13)7(2)6-9(10)16-4/h6H,5H2,1-4H3
InChIKeyGEUZTUJNJWDXDA-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.70
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene?
The IUPAC name of 4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene (CID 116841275) is 4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene.
What is the SMILES notation for 4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene?
The canonical SMILES for 4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene is CCC(F)(F)c1c(OC)cc(C)c(Cl)c1C.
What is the InChIKey of 4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene?
The InChIKey is GEUZTUJNJWDXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2O/c1-5-12(14,15)10-8(3)11(13)7(2)6-9(10)16-4/h6H,5H2,1-4H3.
What are the key properties of 4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene?
4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene has a molecular weight of 248.70 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,1-difluoropropyl)-1-methoxy-3,5-dimethylbenzene is sourced from PubChem (CID 116841275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).