(3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine

C8H16FNO — CID 126847899

IUPAC(3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine
SMILESCCC(C)N[C@@H]1COC[C@H]1F
InChIInChI=1S/C8H16FNO/c1-3-6(2)10-8-5-11-4-7(8)9/h6-8,10H,3-5H2,1-2H3/t6?,7-,8-/m1/s1
InChIKeyXZPAULLJQCORDJ-SPDVFEMOSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds3

About (3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine

(3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine (PubChem CID 126847899) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine
PubChem CID126847899
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine
SMILESCCC(C)N[C@@H]1COC[C@H]1F
InChIInChI=1S/C8H16FNO/c1-3-6(2)10-8-5-11-4-7(8)9/h6-8,10H,3-5H2,1-2H3/t6?,7-,8-/m1/s1
InChIKeyXZPAULLJQCORDJ-SPDVFEMOSA-N
XLogP1.11
TPSA21.26 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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine?
The IUPAC name of (3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine (CID 126847899) is (3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine.
What is the SMILES notation for (3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine?
The canonical SMILES for (3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine is CCC(C)N[C@@H]1COC[C@H]1F.
What is the InChIKey of (3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine?
The InChIKey is XZPAULLJQCORDJ-SPDVFEMOSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-6(2)10-8-5-11-4-7(8)9/h6-8,10H,3-5H2,1-2H3/t6?,7-,8-/m1/s1.
What are the key properties of (3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine?
(3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-butan-2-yl-4-fluorooxolan-3-amine is sourced from PubChem (CID 126847899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).