1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene

C12H17F — CID 160613848

IUPAC1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene
SMILESCc1cc(C)c(CC(C)C)cc1F
InChIInChI=1S/C12H17F/c1-8(2)5-11-7-12(13)10(4)6-9(11)3/h6-8H,5H2,1-4H3
InChIKeyHMMXFHGHRQYPIS-UHFFFAOYSA-N
MW180.27 g/mol
LogP3.64
Rot. Bonds2

About 1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene

1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene (PubChem CID 160613848) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene
PubChem CID160613848
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Name1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene
SMILESCc1cc(C)c(CC(C)C)cc1F
InChIInChI=1S/C12H17F/c1-8(2)5-11-7-12(13)10(4)6-9(11)3/h6-8H,5H2,1-4H3
InChIKeyHMMXFHGHRQYPIS-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene
CID 134572668
1,2,4-trimethyl-5-(2-methylpropyl)benzene
CID 22968949
3-(5-fluoro-2,4-dimethylphenyl)-2-methylpropanoic acid
CID 84781211
2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid
CID 84781647
ethane;(5-fluoro-2,4-dimethylphenyl)methanol
CID 154686554
2-fluoro-4-methyl-1-(2-methylpropyl)benzene
CID 59283432
3-methyl-4-(2-methylpropyl)aniline
CID 63889098
1-(2-chloropropyl)-2,4,5-trimethylbenzene
CID 163503442
2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene
CID 141214652
1,2-difluoro-4-(fluoromethyl)-5-methylbenzene
CID 130909757
1-[2-(5-fluoro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460910
4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine
CID 177015926

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene?
The IUPAC name of 1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene (CID 160613848) is 1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene.
What is the SMILES notation for 1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene?
The canonical SMILES for 1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene is Cc1cc(C)c(CC(C)C)cc1F.
What is the InChIKey of 1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene?
The InChIKey is HMMXFHGHRQYPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F/c1-8(2)5-11-7-12(13)10(4)6-9(11)3/h6-8H,5H2,1-4H3.
What are the key properties of 1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene?
1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene has a molecular weight of 180.27 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene is sourced from PubChem (CID 160613848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).