1-butan-2-yl-2-fluoropyrrolidine

C8H16FN — CID 167204489

IUPAC1-butan-2-yl-2-fluoropyrrolidine
SMILESCCC(C)N1CCCC1F
InChIInChI=1S/C8H16FN/c1-3-7(2)10-6-4-5-8(10)9/h7-8H,3-6H2,1-2H3
InChIKeyOVARKSLUCIDAKX-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.18
Rot. Bonds2

About 1-butan-2-yl-2-fluoropyrrolidine

1-butan-2-yl-2-fluoropyrrolidine (PubChem CID 167204489) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 1-butan-2-yl-2-fluoropyrrolidine.

Molecular Properties

Compound Name1-butan-2-yl-2-fluoropyrrolidine
PubChem CID167204489
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name1-butan-2-yl-2-fluoropyrrolidine
SMILESCCC(C)N1CCCC1F
InChIInChI=1S/C8H16FN/c1-3-7(2)10-6-4-5-8(10)9/h7-8H,3-6H2,1-2H3
InChIKeyOVARKSLUCIDAKX-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-2-methylpyrrolidine;ethane
CID 166157977
1-butan-2-yl-2-cyclopropylpyrrolidine
CID 131083099
(2S)-1-[(2R)-butan-2-yl]pyrrolidine-2-carbaldehyde
CID 89079851
1-butan-2-yl-3-ethyl-2-methylpiperidine
CID 123374996
1-butan-2-ylpyrrolidine-2-carboxamide
CID 131201186
N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 79456261
1-(1-butan-2-ylpiperidin-2-yl)ethanol
CID 130747081
(3aR,7aR)-1-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130978480
3-(1-butan-2-ylpyrrolidin-2-yl)piperidine
CID 66272787
2-butan-2-yl-2-azabicyclo[3.1.0]hexane
CID 130976839
1-butan-2-yl-2-phenylpiperidine
CID 167239134
1-butan-2-yl-4-(difluoromethyl)piperidine
CID 127988916

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-fluoropyrrolidine?
The IUPAC name of 1-butan-2-yl-2-fluoropyrrolidine (CID 167204489) is 1-butan-2-yl-2-fluoropyrrolidine.
What is the SMILES notation for 1-butan-2-yl-2-fluoropyrrolidine?
The canonical SMILES for 1-butan-2-yl-2-fluoropyrrolidine is CCC(C)N1CCCC1F.
What is the InChIKey of 1-butan-2-yl-2-fluoropyrrolidine?
The InChIKey is OVARKSLUCIDAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-3-7(2)10-6-4-5-8(10)9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-butan-2-yl-2-fluoropyrrolidine?
1-butan-2-yl-2-fluoropyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-fluoropyrrolidine is sourced from PubChem (CID 167204489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).