2-fluoro-2-(oxolan-3-yl)butan-1-amine

C8H16FNO — CID 112566037

IUPAC2-fluoro-2-(oxolan-3-yl)butan-1-amine
SMILESCCC(F)(CN)C1CCOC1
InChIInChI=1S/C8H16FNO/c1-2-8(9,6-10)7-3-4-11-5-7/h7H,2-6,10H2,1H3
InChIKeyILICRBYEBJSZMZ-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds3

About 2-fluoro-2-(oxolan-3-yl)butan-1-amine

2-fluoro-2-(oxolan-3-yl)butan-1-amine (PubChem CID 112566037) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-fluoro-2-(oxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(oxolan-3-yl)butan-1-amine
PubChem CID112566037
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-fluoro-2-(oxolan-3-yl)butan-1-amine
SMILESCCC(F)(CN)C1CCOC1
InChIInChI=1S/C8H16FNO/c1-2-8(9,6-10)7-3-4-11-5-7/h7H,2-6,10H2,1H3
InChIKeyILICRBYEBJSZMZ-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(oxolan-3-yl)butan-1-amine?
The IUPAC name of 2-fluoro-2-(oxolan-3-yl)butan-1-amine (CID 112566037) is 2-fluoro-2-(oxolan-3-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-(oxolan-3-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-(oxolan-3-yl)butan-1-amine is CCC(F)(CN)C1CCOC1.
What is the InChIKey of 2-fluoro-2-(oxolan-3-yl)butan-1-amine?
The InChIKey is ILICRBYEBJSZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-8(9,6-10)7-3-4-11-5-7/h7H,2-6,10H2,1H3.
What are the key properties of 2-fluoro-2-(oxolan-3-yl)butan-1-amine?
2-fluoro-2-(oxolan-3-yl)butan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(oxolan-3-yl)butan-1-amine is sourced from PubChem (CID 112566037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).