(3S)-3-fluoropyrrolidine-1-carboximidamide

C5H10FN3 — CID 129494117

IUPAC(3S)-3-fluoropyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC[C@H](F)C1
InChIInChI=1S/C5H10FN3/c6-4-1-2-9(3-4)5(7)8/h4H,1-3H2,(H3,7,8)/t4-/m0/s1
InChIKeySMKZKVKOLAOSGR-BYPYZUCNSA-N
MW131.15 g/mol
LogP-0.08
Rot. Bonds

About (3S)-3-fluoropyrrolidine-1-carboximidamide

(3S)-3-fluoropyrrolidine-1-carboximidamide (PubChem CID 129494117) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is (3S)-3-fluoropyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(3S)-3-fluoropyrrolidine-1-carboximidamide
PubChem CID129494117
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name(3S)-3-fluoropyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC[C@H](F)C1
InChIInChI=1S/C5H10FN3/c6-4-1-2-9(3-4)5(7)8/h4H,1-3H2,(H3,7,8)/t4-/m0/s1
InChIKeySMKZKVKOLAOSGR-BYPYZUCNSA-N
XLogP-0.08
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminopropyl)pyrrolidine-1-carboximidamide
CID 21018796
(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide
CID 129498943
3-methylsulfanylpyrrolidine-1-carboximidamide
CID 130993566
3-(diethylamino)pyrrolidine-1-carboximidamide
CID 63174989
4-(2-fluoroethyl)piperidine-1-carboximidamide
CID 121201056
(3S)-3-methoxypiperidine-1-carboximidamide
CID 129383624
3-methoxypiperidine-1-carboximidamide
CID 19089238
4-(3-methylbutyl)piperidine-1-carboximidamide
CID 21018807
4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide
CID 142657807
4-[(methylideneamino)methyl]piperidine-1-carboximidamide
CID 58804643
(1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine
CID 165140410
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoropyrrolidine-1-carboximidamide?
The IUPAC name of (3S)-3-fluoropyrrolidine-1-carboximidamide (CID 129494117) is (3S)-3-fluoropyrrolidine-1-carboximidamide.
What is the SMILES notation for (3S)-3-fluoropyrrolidine-1-carboximidamide?
The canonical SMILES for (3S)-3-fluoropyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoropyrrolidine-1-carboximidamide?
The InChIKey is SMKZKVKOLAOSGR-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10FN3/c6-4-1-2-9(3-4)5(7)8/h4H,1-3H2,(H3,7,8)/t4-/m0/s1.
What are the key properties of (3S)-3-fluoropyrrolidine-1-carboximidamide?
(3S)-3-fluoropyrrolidine-1-carboximidamide has a molecular weight of 131.15 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoropyrrolidine-1-carboximidamide is sourced from PubChem (CID 129494117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).