3-fluoro-1-(3-methylbutyl)pyrrolidine

C9H18FN — CID 67990286

IUPAC3-fluoro-1-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCN1CCC(F)C1
InChIInChI=1S/C9H18FN/c1-8(2)3-5-11-6-4-9(10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyNQRKTANWAXHDHD-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds3

About 3-fluoro-1-(3-methylbutyl)pyrrolidine

3-fluoro-1-(3-methylbutyl)pyrrolidine (PubChem CID 67990286) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-fluoro-1-(3-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-(3-methylbutyl)pyrrolidine
PubChem CID67990286
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-fluoro-1-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCN1CCC(F)C1
InChIInChI=1S/C9H18FN/c1-8(2)3-5-11-6-4-9(10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyNQRKTANWAXHDHD-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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-fluoro-1-(4-methylpentyl)piperidine
CID 58664939
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine
CID 166168128
(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
CID 130667245
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
4-bromo-3-methyl-1-(3-methylbutyl)piperidine
CID 114682410
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
3-ethyl-1-(3-methylbutyl)piperidin-4-amine
CID 81457708

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-methylbutyl)pyrrolidine?
The IUPAC name of 3-fluoro-1-(3-methylbutyl)pyrrolidine (CID 67990286) is 3-fluoro-1-(3-methylbutyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-1-(3-methylbutyl)pyrrolidine?
The canonical SMILES for 3-fluoro-1-(3-methylbutyl)pyrrolidine is CC(C)CCN1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-(3-methylbutyl)pyrrolidine?
The InChIKey is NQRKTANWAXHDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2)3-5-11-6-4-9(10)7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-fluoro-1-(3-methylbutyl)pyrrolidine?
3-fluoro-1-(3-methylbutyl)pyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-methylbutyl)pyrrolidine is sourced from PubChem (CID 67990286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).