1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene

C13H16F2 — CID 53307445

IUPAC1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene
SMILESCC(C)(C)c1ccc(C2CC2(F)F)cc1
InChIInChI=1S/C13H16F2/c1-12(2,3)10-6-4-9(5-7-10)11-8-13(11,14)15/h4-7,11H,8H2,1-3H3
InChIKeyCTSZRZBMSFIPEV-UHFFFAOYSA-N
MW210.27 g/mol
LogP4.11
Rot. Bonds1

About 1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene

1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene (PubChem CID 53307445) has the molecular formula C13H16F2 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene
PubChem CID53307445
Molecular FormulaC13H16F2
Molecular Weight210.27 g/mol
Exact Mass210.12
IUPAC Name1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene
SMILESCC(C)(C)c1ccc(C2CC2(F)F)cc1
InChIInChI=1S/C13H16F2/c1-12(2,3)10-6-4-9(5-7-10)11-8-13(11,14)15/h4-7,11H,8H2,1-3H3
InChIKeyCTSZRZBMSFIPEV-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene?
The IUPAC name of 1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene (CID 53307445) is 1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene is CC(C)(C)c1ccc(C2CC2(F)F)cc1.
What is the InChIKey of 1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene?
The InChIKey is CTSZRZBMSFIPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2/c1-12(2,3)10-6-4-9(5-7-10)11-8-13(11,14)15/h4-7,11H,8H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene?
1-tert-butyl-4-(2,2-difluorocyclopropyl)benzene has a molecular weight of 210.27 g/mol, XLogP of 4.11, 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-(2,2-difluorocyclopropyl)benzene is sourced from PubChem (CID 53307445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).