2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine

C13H26FNO — CID 112566438

IUPAC2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
SMILESCC(C)(C)C(F)(CN)CCCC1CCCO1
InChIInChI=1S/C13H26FNO/c1-12(2,3)13(14,10-15)8-4-6-11-7-5-9-16-11/h11H,4-10,15H2,1-3H3
InChIKeyPOGSZEIAKIJLDV-UHFFFAOYSA-N
MW231.35 g/mol
LogP3.05
Rot. Bonds5

About 2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine

2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine (PubChem CID 112566438) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
PubChem CID112566438
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
SMILESCC(C)(C)C(F)(CN)CCCC1CCCO1
InChIInChI=1S/C13H26FNO/c1-12(2,3)13(14,10-15)8-4-6-11-7-5-9-16-11/h11H,4-10,15H2,1-3H3
InChIKeyPOGSZEIAKIJLDV-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine?
The IUPAC name of 2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine (CID 112566438) is 2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine.
What is the SMILES notation for 2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine?
The canonical SMILES for 2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine is CC(C)(C)C(F)(CN)CCCC1CCCO1.
What is the InChIKey of 2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine?
The InChIKey is POGSZEIAKIJLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-12(2,3)13(14,10-15)8-4-6-11-7-5-9-16-11/h11H,4-10,15H2,1-3H3.
What are the key properties of 2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine?
2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine has a molecular weight of 231.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 112566438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).