1-(1,1-difluoropropyl)-2,4-dimethylbenzene

C11H14F2 — CID 116841228

IUPAC1-(1,1-difluoropropyl)-2,4-dimethylbenzene
SMILESCCC(F)(F)c1ccc(C)cc1C
InChIInChI=1S/C11H14F2/c1-4-11(12,13)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3
InChIKeyQDXMBJPXVJDULU-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.81
Rot. Bonds2

About 1-(1,1-difluoropropyl)-2,4-dimethylbenzene

1-(1,1-difluoropropyl)-2,4-dimethylbenzene (PubChem CID 116841228) has the molecular formula C11H14F2 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(1,1-difluoropropyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(1,1-difluoropropyl)-2,4-dimethylbenzene
PubChem CID116841228
Molecular FormulaC11H14F2
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(1,1-difluoropropyl)-2,4-dimethylbenzene
SMILESCCC(F)(F)c1ccc(C)cc1C
InChIInChI=1S/C11H14F2/c1-4-11(12,13)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3
InChIKeyQDXMBJPXVJDULU-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene
CID 116841304
1-(1,1-difluoro-2-methylpropyl)-2,4-dimethylbenzene
CID 116841375
1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 19090109
1-amino-2-(2,4-dimethylphenyl)butan-2-ol
CID 79002052
1-(2,4-dimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839374
1-cyclopropyl-1-(2,4-dimethylphenyl)propan-1-ol
CID 64919325
2-ethyl-4-methyl-1-(trifluoromethyl)benzene
CID 89088576
2,4-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]benzene
CID 155129747
5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole
CID 116841335
1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene
CID 170152443
2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide
CID 91457472
methyl 2-[2-(1,1-difluoropropyl)-4-methylphenoxy]acetate
CID 155428844

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(1,1-difluoropropyl)-2,4-dimethylbenzene (CID 116841228) is 1-(1,1-difluoropropyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(1,1-difluoropropyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(1,1-difluoropropyl)-2,4-dimethylbenzene is CCC(F)(F)c1ccc(C)cc1C.
What is the InChIKey of 1-(1,1-difluoropropyl)-2,4-dimethylbenzene?
The InChIKey is QDXMBJPXVJDULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2/c1-4-11(12,13)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3.
What are the key properties of 1-(1,1-difluoropropyl)-2,4-dimethylbenzene?
1-(1,1-difluoropropyl)-2,4-dimethylbenzene has a molecular weight of 184.23 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropyl)-2,4-dimethylbenzene is sourced from PubChem (CID 116841228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).