ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane

C17H28AlF — CID 19904968

IUPACditert-butyl-[2-(3-fluoropropyl)phenyl]alumane
SMILESCC(C)(C)[Al](c1ccccc1CCCF)C(C)(C)C
InChIInChI=1S/C9H10F.2C4H9.Al/c10-8-4-7-9-5-2-1-3-6-9;2*1-4(2)3;/h1-3,5H,4,7-8H2;2*1-3H3;
InChIKeyRXIZMNXQRWRORP-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.89
Rot. Bonds4

About ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane

ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane (PubChem CID 19904968) has the molecular formula C17H28AlF and a molecular weight of 278.39 g/mol. Its IUPAC name is ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane.

Molecular Properties

Compound Nameditert-butyl-[2-(3-fluoropropyl)phenyl]alumane
PubChem CID19904968
Molecular FormulaC17H28AlF
Molecular Weight278.39 g/mol
Exact Mass278.20
IUPAC Nameditert-butyl-[2-(3-fluoropropyl)phenyl]alumane
SMILESCC(C)(C)[Al](c1ccccc1CCCF)C(C)(C)C
InChIInChI=1S/C9H10F.2C4H9.Al/c10-8-4-7-9-5-2-1-3-6-9;2*1-4(2)3;/h1-3,5H,4,7-8H2;2*1-3H3;
InChIKeyRXIZMNXQRWRORP-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane 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 ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane?
The IUPAC name of ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane (CID 19904968) is ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane.
What is the SMILES notation for ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane?
The canonical SMILES for ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane is CC(C)(C)[Al](c1ccccc1CCCF)C(C)(C)C.
What is the InChIKey of ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane?
The InChIKey is RXIZMNXQRWRORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F.2C4H9.Al/c10-8-4-7-9-5-2-1-3-6-9;2*1-4(2)3;/h1-3,5H,4,7-8H2;2*1-3H3;.
What are the key properties of ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane?
ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane has a molecular weight of 278.39 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane is sourced from PubChem (CID 19904968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).