(3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine

C9H18FNO — CID 177265346

IUPAC(3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine
SMILESCC(C)(C)CN[C@@H]1COC[C@@H]1F
InChIInChI=1S/C9H18FNO/c1-9(2,3)6-11-8-5-12-4-7(8)10/h7-8,11H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyCWJGLGQMZFXYKB-JGVFFNPUSA-N
MW175.25 g/mol
LogP1.36
Rot. Bonds2

About (3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine

(3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine (PubChem CID 177265346) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine.

Molecular Properties

Compound Name(3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine
PubChem CID177265346
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine
SMILESCC(C)(C)CN[C@@H]1COC[C@@H]1F
InChIInChI=1S/C9H18FNO/c1-9(2,3)6-11-8-5-12-4-7(8)10/h7-8,11H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyCWJGLGQMZFXYKB-JGVFFNPUSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine?
The IUPAC name of (3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine (CID 177265346) is (3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine.
What is the SMILES notation for (3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine?
The canonical SMILES for (3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine is CC(C)(C)CN[C@@H]1COC[C@@H]1F.
What is the InChIKey of (3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine?
The InChIKey is CWJGLGQMZFXYKB-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2,3)6-11-8-5-12-4-7(8)10/h7-8,11H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine?
(3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine has a molecular weight of 175.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-(2,2-dimethylpropyl)-4-fluorooxolan-3-amine is sourced from PubChem (CID 177265346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).