[(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine

C5H11FN2 — CID 14612509

IUPAC[(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CNC[C@@H]1F
InChIInChI=1S/C5H11FN2/c6-5-3-8-2-4(5)1-7/h4-5,8H,1-3,7H2/t4-,5+/m1/s1
InChIKeyYSQMRDFLWLVLHV-UHNVWZDZSA-N
MW118.16 g/mol
LogP-0.50
Rot. Bonds1

About [(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine

[(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine (PubChem CID 14612509) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is [(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine
PubChem CID14612509
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name[(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CNC[C@@H]1F
InChIInChI=1S/C5H11FN2/c6-5-3-8-2-4(5)1-7/h4-5,8H,1-3,7H2/t4-,5+/m1/s1
InChIKeyYSQMRDFLWLVLHV-UHNVWZDZSA-N
XLogP-0.50
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 ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride
CID 167714876
[(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine
CID 15729391
3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride
CID 155896224
[3-(aminomethyl)piperidin-4-yl]methanamine
CID 21186518
(4-cyclopentylpyrrolidin-3-yl)methanamine
CID 82597822
(3S,4S)-3,4-bis(fluoromethyl)pyrrolidine
CID 121210488
(3S,4R)-3,4-bis(fluoromethyl)pyrrolidine;hydrochloride
CID 121210458
(3R)-4-(3,3-dimethylbutyl)-3-fluoropiperidine
CID 58286803
(3S,4S)-3-fluoro-4-methylpyrrolidine
CID 118447015
(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
CID 170923054
1-(4-fluoropyrrolidin-3-yl)ethanamine
CID 57015274
[(1S,2S)-2,4-difluorocyclohexyl]methanamine
CID 122578445

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine (CID 14612509) is [(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine is NC[C@@H]1CNC[C@@H]1F.
What is the InChIKey of [(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine?
The InChIKey is YSQMRDFLWLVLHV-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H11FN2/c6-5-3-8-2-4(5)1-7/h4-5,8H,1-3,7H2/t4-,5+/m1/s1.
What are the key properties of [(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine?
[(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine has a molecular weight of 118.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine is sourced from PubChem (CID 14612509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).