2-tert-butyl-1-fluoro-4-propylbenzene

C13H19F — CID 139403848

IUPAC2-tert-butyl-1-fluoro-4-propylbenzene
SMILESCCCc1ccc(F)c(C(C)(C)C)c1
InChIInChI=1S/C13H19F/c1-5-6-10-7-8-12(14)11(9-10)13(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyWSPLYAOUKQGPIV-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.08
Rot. Bonds2

About 2-tert-butyl-1-fluoro-4-propylbenzene

2-tert-butyl-1-fluoro-4-propylbenzene (PubChem CID 139403848) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 2-tert-butyl-1-fluoro-4-propylbenzene.

Molecular Properties

Compound Name2-tert-butyl-1-fluoro-4-propylbenzene
PubChem CID139403848
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name2-tert-butyl-1-fluoro-4-propylbenzene
SMILESCCCc1ccc(F)c(C(C)(C)C)c1
InChIInChI=1S/C13H19F/c1-5-6-10-7-8-12(14)11(9-10)13(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyWSPLYAOUKQGPIV-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3-tert-butyl-4-fluorophenyl)-2-methylbutan-2-amine
CID 90210068
2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene
CID 139403851
1,2-difluoro-4-propylbenzene;methane
CID 160697343
(2R)-4-(3-tert-butyl-4-fluorophenyl)-2-ethyl-2-methylbutanoic acid
CID 163777992
(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol
CID 90210106
2-(2-tert-butyl-4-propylphenoxy)ethanol
CID 146523971
2-tert-butyl-4-chloro-1-fluorobenzene
CID 58745497
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
2-tert-butyl-4-pentylphenol
CID 19933254
2-fluoro-N,N-dimethyl-4-propylaniline
CID 89112656
1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine
CID 107290165
1-fluoro-4-propylbenzene
CID 2737505

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-fluoro-4-propylbenzene?
The IUPAC name of 2-tert-butyl-1-fluoro-4-propylbenzene (CID 139403848) is 2-tert-butyl-1-fluoro-4-propylbenzene.
What is the SMILES notation for 2-tert-butyl-1-fluoro-4-propylbenzene?
The canonical SMILES for 2-tert-butyl-1-fluoro-4-propylbenzene is CCCc1ccc(F)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-1-fluoro-4-propylbenzene?
The InChIKey is WSPLYAOUKQGPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-5-6-10-7-8-12(14)11(9-10)13(2,3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-1-fluoro-4-propylbenzene?
2-tert-butyl-1-fluoro-4-propylbenzene has a molecular weight of 194.29 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-fluoro-4-propylbenzene is sourced from PubChem (CID 139403848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).