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

C13H26FNO — CID 176613164

IUPAC(2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
SMILESCC(C)C[C@H]1O[C@@H](C(C)C)[C@H](N(C)C)[C@@H]1F
InChIInChI=1S/C13H26FNO/c1-8(2)7-10-11(14)12(15(5)6)13(16-10)9(3)4/h8-13H,7H2,1-6H3/t10-,11-,12-,13+/m1/s1
InChIKeyBRFAVSSALGRJCH-LPWJVIDDSA-N
MW231.35 g/mol
LogP2.72
Rot. Bonds4

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

(2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine (PubChem CID 176613164) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is (2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine.

Molecular Properties

Compound Name(2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
PubChem CID176613164
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name(2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
SMILESCC(C)C[C@H]1O[C@@H](C(C)C)[C@H](N(C)C)[C@@H]1F
InChIInChI=1S/C13H26FNO/c1-8(2)7-10-11(14)12(15(5)6)13(16-10)9(3)4/h8-13H,7H2,1-6H3/t10-,11-,12-,13+/m1/s1
InChIKeyBRFAVSSALGRJCH-LPWJVIDDSA-N
XLogP2.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
The IUPAC name of (2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine (CID 176613164) is (2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine.
What is the SMILES notation for (2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
The canonical SMILES for (2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-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)C)[C@@H]1F.
What is the InChIKey of (2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
The InChIKey is BRFAVSSALGRJCH-LPWJVIDDSA-N. The full InChI is InChI=1S/C13H26FNO/c1-8(2)7-10-11(14)12(15(5)6)13(16-10)9(3)4/h8-13H,7H2,1-6H3/t10-,11-,12-,13+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine?
(2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine has a molecular weight of 231.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-4-fluoro-N,N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine is sourced from PubChem (CID 176613164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).