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

C10H18FN — CID 141419499

IUPAC(2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine
SMILESC[C@@H]1CC=CN[C@@H]1CC(C)(C)F
InChIInChI=1S/C10H18FN/c1-8-5-4-6-12-9(8)7-10(2,3)11/h4,6,8-9,12H,5,7H2,1-3H3/t8-,9-/m1/s1
InChIKeyBXVXJBHBWWPFCW-RKDXNWHRSA-N
MW171.26 g/mol
LogP2.64
Rot. Bonds2

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

(2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 141419499) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name(2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine
PubChem CID141419499
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine
SMILESC[C@@H]1CC=CN[C@@H]1CC(C)(C)F
InChIInChI=1S/C10H18FN/c1-8-5-4-6-12-9(8)7-10(2,3)11/h4,6,8-9,12H,5,7H2,1-3H3/t8-,9-/m1/s1
InChIKeyBXVXJBHBWWPFCW-RKDXNWHRSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of (2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine (CID 141419499) is (2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for (2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for (2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine is C[C@@H]1CC=CN[C@@H]1CC(C)(C)F.
What is the InChIKey of (2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is BXVXJBHBWWPFCW-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18FN/c1-8-5-4-6-12-9(8)7-10(2,3)11/h4,6,8-9,12H,5,7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine?
(2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 171.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 141419499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).