(3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine

C10H20FNO — CID 177265598

IUPAC(3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine
SMILESCC(C)(C)CN[C@@H]1CCOC[C@H]1F
InChIInChI=1S/C10H20FNO/c1-10(2,3)7-12-9-4-5-13-6-8(9)11/h8-9,12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyOHGQQWCROVYXIY-RKDXNWHRSA-N
MW189.27 g/mol
LogP1.75
Rot. Bonds2

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

(3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine (PubChem CID 177265598) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine.

Molecular Properties

Compound Name(3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine
PubChem CID177265598
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine
SMILESCC(C)(C)CN[C@@H]1CCOC[C@H]1F
InChIInChI=1S/C10H20FNO/c1-10(2,3)7-12-9-4-5-13-6-8(9)11/h8-9,12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyOHGQQWCROVYXIY-RKDXNWHRSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine?
The IUPAC name of (3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine (CID 177265598) is (3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine.
What is the SMILES notation for (3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine?
The canonical SMILES for (3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine is CC(C)(C)CN[C@@H]1CCOC[C@H]1F.
What is the InChIKey of (3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine?
The InChIKey is OHGQQWCROVYXIY-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20FNO/c1-10(2,3)7-12-9-4-5-13-6-8(9)11/h8-9,12H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine?
(3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine has a molecular weight of 189.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-(2,2-dimethylpropyl)-3-fluorooxan-4-amine is sourced from PubChem (CID 177265598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).