3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine

C9H18FN — CID 167200051

IUPAC3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(C)(CF)C1
InChIInChI=1S/C9H18FN/c1-8(2)11-5-4-9(3,6-10)7-11/h8H,4-7H2,1-3H3
InChIKeyYZUQVYNWPMWDCS-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds2

About 3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine

3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine (PubChem CID 167200051) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine
PubChem CID167200051
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(C)(CF)C1
InChIInChI=1S/C9H18FN/c1-8(2)11-5-4-9(3,6-10)7-11/h8H,4-7H2,1-3H3
InChIKeyYZUQVYNWPMWDCS-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 135165727
1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505376
6-propan-2-yl-1,6-diazaspiro[2.4]heptane
CID 155640500
3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine
CID 130656064
2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
CID 130991676
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
(3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine
CID 166707515
ethane;(3R)-3-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142616980
3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82713423

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine (CID 167200051) is 3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine is CC(C)N1CCC(C)(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is YZUQVYNWPMWDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2)11-5-4-9(3,6-10)7-11/h8H,4-7H2,1-3H3.
What are the key properties of 3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine?
3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 167200051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).