1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol

C13H17FO — CID 84780254

IUPAC1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol
SMILESCC(C)(C)c1ccc(C2(O)CC2)cc1F
InChIInChI=1S/C13H17FO/c1-12(2,3)10-5-4-9(8-11(10)14)13(15)6-7-13/h4-5,8,15H,6-7H2,1-3H3
InChIKeyXCXRXJVMOOVKKR-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.10
Rot. Bonds1

About 1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol

1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol (PubChem CID 84780254) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol
PubChem CID84780254
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol
SMILESCC(C)(C)c1ccc(C2(O)CC2)cc1F
InChIInChI=1S/C13H17FO/c1-12(2,3)10-5-4-9(8-11(10)14)13(15)6-7-13/h4-5,8,15H,6-7H2,1-3H3
InChIKeyXCXRXJVMOOVKKR-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol?
The IUPAC name of 1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol (CID 84780254) is 1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol is CC(C)(C)c1ccc(C2(O)CC2)cc1F.
What is the InChIKey of 1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol?
The InChIKey is XCXRXJVMOOVKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-12(2,3)10-5-4-9(8-11(10)14)13(15)6-7-13/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol?
1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol has a molecular weight of 208.28 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3-fluorophenyl)cyclopropan-1-ol is sourced from PubChem (CID 84780254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).