1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene

C11H15F — CID 58029447

IUPAC1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
SMILESCc1cc(F)c(C)c(C(C)C)c1
InChIInChI=1S/C11H15F/c1-7(2)10-5-8(3)6-11(12)9(10)4/h5-7H,1-4H3
InChIKeyXPWNABNOGKHZCW-UHFFFAOYSA-N
MW166.24 g/mol
LogP3.57
Rot. Bonds1

About 1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene

1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene (PubChem CID 58029447) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
PubChem CID58029447
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
SMILESCc1cc(F)c(C)c(C(C)C)c1
InChIInChI=1S/C11H15F/c1-7(2)10-5-8(3)6-11(12)9(10)4/h5-7H,1-4H3
InChIKeyXPWNABNOGKHZCW-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 144806033
CID 144806033
(2-fluoro-4-methyl-6-propan-2-ylphenyl)methanol
CID 155081921
3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84774435
1-ethynyl-2,5-dimethyl-3-propan-2-ylbenzene
CID 168819244
1-ethoxy-3-fluoro-2,5-dimethylbenzene
CID 59933400
5-ethyl-6-(3-fluoro-2,5-dimethylphenyl)-2-methylheptan-1-amine
CID 143454366
1-fluoro-5-methyl-3-methylsulfanyl-2-propan-2-ylbenzene
CID 145398020
1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene
CID 131074450
3-fluoro-2,5-dimethylaniline
CID 55289526
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide
CID 167606728
7-fluoro-4-methyl-5-propan-2-yl-2,3-dihydro-1H-indene
CID 156857587

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene?
The IUPAC name of 1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene (CID 58029447) is 1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene.
What is the SMILES notation for 1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene?
The canonical SMILES for 1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene is Cc1cc(F)c(C)c(C(C)C)c1.
What is the InChIKey of 1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene?
The InChIKey is XPWNABNOGKHZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F/c1-7(2)10-5-8(3)6-11(12)9(10)4/h5-7H,1-4H3.
What are the key properties of 1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene?
1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene has a molecular weight of 166.24 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene is sourced from PubChem (CID 58029447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).