4-fluoropyrrolidin-2-amine

C4H9FN2 — CID 123213326

IUPAC4-fluoropyrrolidin-2-amine
SMILESNC1CC(F)CN1
InChIInChI=1S/C4H9FN2/c5-3-1-4(6)7-2-3/h3-4,7H,1-2,6H2
InChIKeyOCIHSMJCPZWBIA-UHFFFAOYSA-N
MW104.13 g/mol
LogP-0.40
Rot. Bonds

About 4-fluoropyrrolidin-2-amine

4-fluoropyrrolidin-2-amine (PubChem CID 123213326) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is 4-fluoropyrrolidin-2-amine.

Molecular Properties

Compound Name4-fluoropyrrolidin-2-amine
PubChem CID123213326
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name4-fluoropyrrolidin-2-amine
SMILESNC1CC(F)CN1
InChIInChI=1S/C4H9FN2/c5-3-1-4(6)7-2-3/h3-4,7H,1-2,6H2
InChIKeyOCIHSMJCPZWBIA-UHFFFAOYSA-N
XLogP-0.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolidine, 3-fluoro-
CID 3744989
(S)-3-fluoropyrrolidine
CID 7016277
2-Fluoropyrrolidine
CID 56985404
Pyrrolidin-2-amine
CID 14298876
1-Aminoethylpyrrolidine
CID 20083172
(-)-(r)-2-Amino-methylpyrrolidine
CID 89312266
3-Fluoropyrrolidine
CID 2759163
(3R)-3-fluoropyrrolidin-1-ium
CID 7016275
(3S)-3-fluoropyrrolidin-1-ium
CID 7016276
(r)-2-Fluoropyrrolidine
CID 55300416
(2S)-2-fluoropyrrolidine
CID 67277424
(3-Fluoropyrrolidin-1-yl)methanamine
CID 67514608

Frequently Asked Questions

What is the IUPAC name of 4-fluoropyrrolidin-2-amine?
The IUPAC name of 4-fluoropyrrolidin-2-amine (CID 123213326) is 4-fluoropyrrolidin-2-amine.
What is the SMILES notation for 4-fluoropyrrolidin-2-amine?
The canonical SMILES for 4-fluoropyrrolidin-2-amine is NC1CC(F)CN1.
What is the InChIKey of 4-fluoropyrrolidin-2-amine?
The InChIKey is OCIHSMJCPZWBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2/c5-3-1-4(6)7-2-3/h3-4,7H,1-2,6H2.
What are the key properties of 4-fluoropyrrolidin-2-amine?
4-fluoropyrrolidin-2-amine has a molecular weight of 104.13 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropyrrolidin-2-amine is sourced from PubChem (CID 123213326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).