(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine

C9H18FN — CID 165411366

IUPAC(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC[C@@H]1CF
InChIInChI=1S/C9H18FN/c1-8(2)7-11-5-3-4-9(11)6-10/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyMYORIFWLTKAJHQ-SECBINFHSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds3

About (2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine

(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine (PubChem CID 165411366) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine
PubChem CID165411366
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC[C@@H]1CF
InChIInChI=1S/C9H18FN/c1-8(2)7-11-5-3-4-9(11)6-10/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyMYORIFWLTKAJHQ-SECBINFHSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
2-(bromomethyl)-1-(2-methylpropyl)azepane
CID 116638294
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]cyclopentanamine
CID 103852150
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 103904920
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
CID 121006441
2,2-dimethyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103838761
2-ethyl-1-(2-fluoropropyl)pyrrolidine
CID 177053751
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of (2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine (CID 165411366) is (2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine is CC(C)CN1CCC[C@@H]1CF.
What is the InChIKey of (2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine?
The InChIKey is MYORIFWLTKAJHQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2)7-11-5-3-4-9(11)6-10/h8-9H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine?
(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 165411366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).