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

C8H16FNO — CID 105431663

IUPAC3-fluoro-3-(oxolan-3-yl)butan-2-amine
SMILESCC(N)C(C)(F)C1CCOC1
InChIInChI=1S/C8H16FNO/c1-6(10)8(2,9)7-3-4-11-5-7/h6-7H,3-5,10H2,1-2H3
InChIKeyFXYVEWRGKQKSCA-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds2

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

3-fluoro-3-(oxolan-3-yl)butan-2-amine (PubChem CID 105431663) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-fluoro-3-(oxolan-3-yl)butan-2-amine.

Molecular Properties

Compound Name3-fluoro-3-(oxolan-3-yl)butan-2-amine
PubChem CID105431663
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-fluoro-3-(oxolan-3-yl)butan-2-amine
SMILESCC(N)C(C)(F)C1CCOC1
InChIInChI=1S/C8H16FNO/c1-6(10)8(2,9)7-3-4-11-5-7/h6-7H,3-5,10H2,1-2H3
InChIKeyFXYVEWRGKQKSCA-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 3-fluoro-3-(oxolan-3-yl)butan-2-amine?
The IUPAC name of 3-fluoro-3-(oxolan-3-yl)butan-2-amine (CID 105431663) is 3-fluoro-3-(oxolan-3-yl)butan-2-amine.
What is the SMILES notation for 3-fluoro-3-(oxolan-3-yl)butan-2-amine?
The canonical SMILES for 3-fluoro-3-(oxolan-3-yl)butan-2-amine is CC(N)C(C)(F)C1CCOC1.
What is the InChIKey of 3-fluoro-3-(oxolan-3-yl)butan-2-amine?
The InChIKey is FXYVEWRGKQKSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(10)8(2,9)7-3-4-11-5-7/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 3-fluoro-3-(oxolan-3-yl)butan-2-amine?
3-fluoro-3-(oxolan-3-yl)butan-2-amine has a molecular weight of 161.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(oxolan-3-yl)butan-2-amine is sourced from PubChem (CID 105431663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).