1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene

C14H17F3 — CID 67776684

IUPAC1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene
SMILESCC(C)(C)c1ccc(C2CC2C(F)(F)F)cc1
InChIInChI=1S/C14H17F3/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(11)14(15,16)17/h4-7,11-12H,8H2,1-3H3
InChIKeyGKEFIIKSLFPSHH-UHFFFAOYSA-N
MW242.28 g/mol
LogP4.65
Rot. Bonds1

About 1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene

1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene (PubChem CID 67776684) has the molecular formula C14H17F3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene
PubChem CID67776684
Molecular FormulaC14H17F3
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Name1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene
SMILESCC(C)(C)c1ccc(C2CC2C(F)(F)F)cc1
InChIInChI=1S/C14H17F3/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(11)14(15,16)17/h4-7,11-12H,8H2,1-3H3
InChIKeyGKEFIIKSLFPSHH-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 54.65
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-(trifluoromethyl)cyclopropyl]benzene?
The IUPAC name of 1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene (CID 67776684) is 1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene is CC(C)(C)c1ccc(C2CC2C(F)(F)F)cc1.
What is the InChIKey of 1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene?
The InChIKey is GKEFIIKSLFPSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(11)14(15,16)17/h4-7,11-12H,8H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene?
1-tert-butyl-4-[2-(trifluoromethyl)cyclopropyl]benzene has a molecular weight of 242.28 g/mol, XLogP of 4.65, 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-(trifluoromethyl)cyclopropyl]benzene is sourced from PubChem (CID 67776684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).