2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene

C17H18F2 — CID 170246262

IUPAC2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene
SMILESCc1cc(C)cc(-c2c(F)cc(F)cc2C(C)C)c1
InChIInChI=1S/C17H18F2/c1-10(2)15-8-14(18)9-16(19)17(15)13-6-11(3)5-12(4)7-13/h5-10H,1-4H3
InChIKeyPWTLNCYIOAFMCP-UHFFFAOYSA-N
MW260.33 g/mol
LogP5.37
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene

2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene (PubChem CID 170246262) has the molecular formula C17H18F2 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene
PubChem CID170246262
Molecular FormulaC17H18F2
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene
SMILESCc1cc(C)cc(-c2c(F)cc(F)cc2C(C)C)c1
InChIInChI=1S/C17H18F2/c1-10(2)15-8-14(18)9-16(19)17(15)13-6-11(3)5-12(4)7-13/h5-10H,1-4H3
InChIKeyPWTLNCYIOAFMCP-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.33
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,5-dimethylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 123164700
1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 170246537
1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene
CID 142366544
1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
CID 58029447
4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol
CID 102112540
1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 61034165
1,5-difluoro-2,3-di(propan-2-yl)benzene;bis(1,2-di(propan-2-yl)benzene)
CID 158080182
(2-fluoro-4-methyl-6-propan-2-ylphenyl)methanol
CID 155081921
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
1-fluoro-3-propan-2-yl-2-[4-(trifluoromethyl)phenyl]benzene
CID 54565762
1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine
CID 79689806
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene?
The IUPAC name of 2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene (CID 170246262) is 2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene is Cc1cc(C)cc(-c2c(F)cc(F)cc2C(C)C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene?
The InChIKey is PWTLNCYIOAFMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2/c1-10(2)15-8-14(18)9-16(19)17(15)13-6-11(3)5-12(4)7-13/h5-10H,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene?
2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene has a molecular weight of 260.33 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1,5-difluoro-3-propan-2-ylbenzene is sourced from PubChem (CID 170246262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).