(3R,4S)-N-butyl-4-fluorooxolan-3-amine

C8H16FNO — CID 126847873

IUPAC(3R,4S)-N-butyl-4-fluorooxolan-3-amine
SMILESCCCCN[C@@H]1COC[C@H]1F
InChIInChI=1S/C8H16FNO/c1-2-3-4-10-8-6-11-5-7(8)9/h7-8,10H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyQOGYCUGPPCHABR-HTQZYQBOSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds4

About (3R,4S)-N-butyl-4-fluorooxolan-3-amine

(3R,4S)-N-butyl-4-fluorooxolan-3-amine (PubChem CID 126847873) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3R,4S)-N-butyl-4-fluorooxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-N-butyl-4-fluorooxolan-3-amine
PubChem CID126847873
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3R,4S)-N-butyl-4-fluorooxolan-3-amine
SMILESCCCCN[C@@H]1COC[C@H]1F
InChIInChI=1S/C8H16FNO/c1-2-3-4-10-8-6-11-5-7(8)9/h7-8,10H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyQOGYCUGPPCHABR-HTQZYQBOSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-butyl-4-fluorooxolan-3-amine?
The IUPAC name of (3R,4S)-N-butyl-4-fluorooxolan-3-amine (CID 126847873) is (3R,4S)-N-butyl-4-fluorooxolan-3-amine.
What is the SMILES notation for (3R,4S)-N-butyl-4-fluorooxolan-3-amine?
The canonical SMILES for (3R,4S)-N-butyl-4-fluorooxolan-3-amine is CCCCN[C@@H]1COC[C@H]1F.
What is the InChIKey of (3R,4S)-N-butyl-4-fluorooxolan-3-amine?
The InChIKey is QOGYCUGPPCHABR-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-3-4-10-8-6-11-5-7(8)9/h7-8,10H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3R,4S)-N-butyl-4-fluorooxolan-3-amine?
(3R,4S)-N-butyl-4-fluorooxolan-3-amine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-butyl-4-fluorooxolan-3-amine is sourced from PubChem (CID 126847873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).