1-tert-butyl-4-(2-fluorocyclopropyl)benzene

C13H17F — CID 134860876

IUPAC1-tert-butyl-4-(2-fluorocyclopropyl)benzene
SMILESCC(C)(C)c1ccc(C2CC2F)cc1
InChIInChI=1S/C13H17F/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(11)14/h4-7,11-12H,8H2,1-3H3
InChIKeyIPPYMVMUZQVSQW-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.81
Rot. Bonds1

About 1-tert-butyl-4-(2-fluorocyclopropyl)benzene

1-tert-butyl-4-(2-fluorocyclopropyl)benzene (PubChem CID 134860876) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-fluorocyclopropyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(2-fluorocyclopropyl)benzene
PubChem CID134860876
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Name1-tert-butyl-4-(2-fluorocyclopropyl)benzene
SMILESCC(C)(C)c1ccc(C2CC2F)cc1
InChIInChI=1S/C13H17F/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(11)14/h4-7,11-12H,8H2,1-3H3
InChIKeyIPPYMVMUZQVSQW-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-tert-butylphenyl)cyclopropan-1-ol
CID 142590960
1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene
CID 67776684
1-tert-butyl-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene
CID 67951112
2-(4-tert-butylphenyl)cyclopropan-1-amine
CID 43810325
[2-(4-tert-butylphenyl)cyclopropyl]methanamine
CID 62708884
2-(4-tert-butylphenyl)adamantane
CID 13047727
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
3-(4-tert-butylphenyl)-4-methylpiperidine
CID 66273809
[2-(4-tert-butylphenyl)cyclopropyl] acetate
CID 175297807
5-(4-tert-butylphenyl)-2-azabicyclo[2.2.2]octane
CID 171466221
1-tert-butyl-4-(3-methylcyclopentyl)benzene
CID 21137198
2-(4-tert-butylphenyl)cyclopentane-1,3-dione
CID 11085593

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-fluorocyclopropyl)benzene?
The IUPAC name of 1-tert-butyl-4-(2-fluorocyclopropyl)benzene (CID 134860876) is 1-tert-butyl-4-(2-fluorocyclopropyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(2-fluorocyclopropyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(2-fluorocyclopropyl)benzene is CC(C)(C)c1ccc(C2CC2F)cc1.
What is the InChIKey of 1-tert-butyl-4-(2-fluorocyclopropyl)benzene?
The InChIKey is IPPYMVMUZQVSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(11)14/h4-7,11-12H,8H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(2-fluorocyclopropyl)benzene?
1-tert-butyl-4-(2-fluorocyclopropyl)benzene has a molecular weight of 192.28 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-fluorocyclopropyl)benzene is sourced from PubChem (CID 134860876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).