[(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine

C5H11FN2 — CID 167726327

IUPAC[(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C5H11FN2/c6-4-1-5(2-7)8-3-4/h4-5,8H,1-3,7H2/t4-,5+/m1/s1
InChIKeyFVXZURWJXFRXTF-UHNVWZDZSA-N
MW118.16 g/mol
LogP-0.35
Rot. Bonds1

About [(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine

[(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine (PubChem CID 167726327) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is [(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine
PubChem CID167726327
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name[(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C5H11FN2/c6-4-1-5(2-7)8-3-4/h4-5,8H,1-3,7H2/t4-,5+/m1/s1
InChIKeyFVXZURWJXFRXTF-UHNVWZDZSA-N
XLogP-0.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloropyrrolidin-2-yl)methanamine
CID 54385401
5-(aminomethyl)pyrrolidin-3-ol;methanol
CID 145422369
(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638921
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968
1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 131038227
tert-butyl-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-dimethylsilane
CID 167468877
[(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine
CID 57365027
4-fluoropyrrolidin-2-ol
CID 89311737
(2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide
CID 130608654
(5-fluoropiperidin-2-yl)methanol
CID 84648183
N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 176600987

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine (CID 167726327) is [(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine is NC[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of [(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine?
The InChIKey is FVXZURWJXFRXTF-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H11FN2/c6-4-1-5(2-7)8-3-4/h4-5,8H,1-3,7H2/t4-,5+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine?
[(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine has a molecular weight of 118.16 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine is sourced from PubChem (CID 167726327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).