1-fluoro-4-(2,2,3-trimethylbutyl)benzene

C13H19F — CID 59019242

IUPAC1-fluoro-4-(2,2,3-trimethylbutyl)benzene
SMILESCC(C)C(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H19F/c1-10(2)13(3,4)9-11-5-7-12(14)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeyIUCXPNMFCRSZKF-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.05
Rot. Bonds3

About 1-fluoro-4-(2,2,3-trimethylbutyl)benzene

1-fluoro-4-(2,2,3-trimethylbutyl)benzene (PubChem CID 59019242) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 1-fluoro-4-(2,2,3-trimethylbutyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2,2,3-trimethylbutyl)benzene
PubChem CID59019242
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name1-fluoro-4-(2,2,3-trimethylbutyl)benzene
SMILESCC(C)C(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H19F/c1-10(2)13(3,4)9-11-5-7-12(14)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeyIUCXPNMFCRSZKF-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-fluorobenzene;ethane;2,2,3-trimethylbutylbenzene
CID 176962807
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 83151720
1-[2,2-bis(chloromethyl)-3-methylbutyl]-4-fluorobenzene
CID 79447880
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149275
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol
CID 114284823
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
CID 143051679
1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol
CID 114832950
1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol
CID 107892822
3-(4-fluorophenyl)-2,2-dimethylpropanal
CID 12814764
4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol
CID 82112185

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2,2,3-trimethylbutyl)benzene?
The IUPAC name of 1-fluoro-4-(2,2,3-trimethylbutyl)benzene (CID 59019242) is 1-fluoro-4-(2,2,3-trimethylbutyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2,2,3-trimethylbutyl)benzene?
The canonical SMILES for 1-fluoro-4-(2,2,3-trimethylbutyl)benzene is CC(C)C(C)(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(2,2,3-trimethylbutyl)benzene?
The InChIKey is IUCXPNMFCRSZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-10(2)13(3,4)9-11-5-7-12(14)8-6-11/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-fluoro-4-(2,2,3-trimethylbutyl)benzene?
1-fluoro-4-(2,2,3-trimethylbutyl)benzene has a molecular weight of 194.29 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2,2,3-trimethylbutyl)benzene is sourced from PubChem (CID 59019242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).