1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene

C12H16F2 — CID 22261761

IUPAC1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene
SMILESCc1ccc(C(F)(F)C(C)(C)C)cc1
InChIInChI=1S/C12H16F2/c1-9-5-7-10(8-6-9)12(13,14)11(2,3)4/h5-8H,1-4H3
InChIKeyHDBALPKIHKCUKD-UHFFFAOYSA-N
MW198.26 g/mol
LogP4.13
Rot. Bonds1

About 1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene

1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene (PubChem CID 22261761) has the molecular formula C12H16F2 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene
PubChem CID22261761
Molecular FormulaC12H16F2
Molecular Weight198.26 g/mol
Exact Mass198.12
IUPAC Name1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene
SMILESCc1ccc(C(F)(F)C(C)(C)C)cc1
InChIInChI=1S/C12H16F2/c1-9-5-7-10(8-6-9)12(13,14)11(2,3)4/h5-8H,1-4H3
InChIKeyHDBALPKIHKCUKD-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride
CID 90675046
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
1-fluoro-1-(4-methylphenyl)ethanethiol
CID 145074057
1-tert-butyl-4-methylbenzene
CID 163486601
N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride
CID 90675047
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 157463661
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
[difluoro-(4-methylphenyl)methyl]thallium
CID 153168176
1-methyl-4-[2,2,4-trifluoro-4-methyl-3-(4-methylphenyl)pentan-3-yl]benzene
CID 131994579

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene?
The IUPAC name of 1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene (CID 22261761) is 1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene.
What is the SMILES notation for 1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene?
The canonical SMILES for 1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene is Cc1ccc(C(F)(F)C(C)(C)C)cc1.
What is the InChIKey of 1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene?
The InChIKey is HDBALPKIHKCUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2/c1-9-5-7-10(8-6-9)12(13,14)11(2,3)4/h5-8H,1-4H3.
What are the key properties of 1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene?
1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene has a molecular weight of 198.26 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene is sourced from PubChem (CID 22261761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).