(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine

C11H22FNO — CID 176612976

IUPAC(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
SMILESCC(C)C[C@H]1O[C@@H](C(C)C)[C@H](N)[C@@H]1F
InChIInChI=1S/C11H22FNO/c1-6(2)5-8-9(12)10(13)11(14-8)7(3)4/h6-11H,5,13H2,1-4H3/t8-,9-,10-,11+/m1/s1
InChIKeyLVSYQDYDBGKWBW-DBIOUOCHSA-N
MW203.30 g/mol
LogP2.12
Rot. Bonds3

About (2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine

(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine (PubChem CID 176612976) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine.

Molecular Properties

Compound Name(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
PubChem CID176612976
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
SMILESCC(C)C[C@H]1O[C@@H](C(C)C)[C@H](N)[C@@H]1F
InChIInChI=1S/C11H22FNO/c1-6(2)5-8-9(12)10(13)11(14-8)7(3)4/h6-11H,5,13H2,1-4H3/t8-,9-,10-,11+/m1/s1
InChIKeyLVSYQDYDBGKWBW-DBIOUOCHSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
The IUPAC name of (2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine (CID 176612976) is (2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine.
What is the SMILES notation for (2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
The canonical SMILES for (2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine is CC(C)C[C@H]1O[C@@H](C(C)C)[C@H](N)[C@@H]1F.
What is the InChIKey of (2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
The InChIKey is LVSYQDYDBGKWBW-DBIOUOCHSA-N. The full InChI is InChI=1S/C11H22FNO/c1-6(2)5-8-9(12)10(13)11(14-8)7(3)4/h6-11H,5,13H2,1-4H3/t8-,9-,10-,11+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
(2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine has a molecular weight of 203.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-4-fluoro-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine is sourced from PubChem (CID 176612976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).