(2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine

C10H18FN — CID 141419504

IUPAC(2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine
SMILESC[C@H](CF)C[C@H]1NC=CC[C@H]1C
InChIInChI=1S/C10H18FN/c1-8(7-11)6-10-9(2)4-3-5-12-10/h3,5,8-10,12H,4,6-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyRWWDDXQQRIBWAY-IVZWLZJFSA-N
MW171.26 g/mol
LogP2.49
Rot. Bonds3

About (2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine

(2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 141419504) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name(2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine
PubChem CID141419504
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine
SMILESC[C@H](CF)C[C@H]1NC=CC[C@H]1C
InChIInChI=1S/C10H18FN/c1-8(7-11)6-10-9(2)4-3-5-12-10/h3,5,8-10,12H,4,6-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyRWWDDXQQRIBWAY-IVZWLZJFSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of (2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine (CID 141419504) is (2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for (2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for (2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine is C[C@H](CF)C[C@H]1NC=CC[C@H]1C.
What is the InChIKey of (2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is RWWDDXQQRIBWAY-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(7-11)6-10-9(2)4-3-5-12-10/h3,5,8-10,12H,4,6-7H2,1-2H3/t8-,9+,10+/m0/s1.
What are the key properties of (2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine?
(2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 171.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 141419504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).