1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine

C9H16FN — CID 130727528

IUPAC1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine
SMILESCC1CCN(CC2(F)CC2)C1
InChIInChI=1S/C9H16FN/c1-8-2-5-11(6-8)7-9(10)3-4-9/h8H,2-7H2,1H3
InChIKeyCLNWLHRRQPHUAJ-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.83
Rot. Bonds2

About 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine

1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine (PubChem CID 130727528) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine
PubChem CID130727528
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine
SMILESCC1CCN(CC2(F)CC2)C1
InChIInChI=1S/C9H16FN/c1-8-2-5-11(6-8)7-9(10)3-4-9/h8H,2-7H2,1H3
InChIKeyCLNWLHRRQPHUAJ-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1-fluorocyclopropyl)methyl]-4-methylazepane
CID 130667715
1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 176561897
1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine
CID 176561973
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
N-methyl-1-[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 62256723
1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine
CID 130905098
(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 175612155
3-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 164648785
CID 23403793
CID 23403793
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 106498493
1-ethyl-4-[(1-fluorocyclopropyl)methyl]piperazine
CID 130668663

Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine?
The IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine (CID 130727528) is 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine.
What is the SMILES notation for 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine?
The canonical SMILES for 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine is CC1CCN(CC2(F)CC2)C1.
What is the InChIKey of 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine?
The InChIKey is CLNWLHRRQPHUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-8-2-5-11(6-8)7-9(10)3-4-9/h8H,2-7H2,1H3.
What are the key properties of 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine?
1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine is sourced from PubChem (CID 130727528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).