1-(2-fluorohexyl)pyrrolidine

C10H20FN — CID 177054095

IUPAC1-(2-fluorohexyl)pyrrolidine
SMILESCCCCC(F)CN1CCCC1
InChIInChI=1S/C10H20FN/c1-2-3-6-10(11)9-12-7-4-5-8-12/h10H,2-9H2,1H3
InChIKeyJBNCYAIOTJWBEH-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.61
Rot. Bonds5

About 1-(2-fluorohexyl)pyrrolidine

1-(2-fluorohexyl)pyrrolidine (PubChem CID 177054095) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 1-(2-fluorohexyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-fluorohexyl)pyrrolidine
PubChem CID177054095
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name1-(2-fluorohexyl)pyrrolidine
SMILESCCCCC(F)CN1CCCC1
InChIInChI=1S/C10H20FN/c1-2-3-6-10(11)9-12-7-4-5-8-12/h10H,2-9H2,1H3
InChIKeyJBNCYAIOTJWBEH-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R)-2-fluoro-5-methoxypentyl]pyrrolidine
CID 177009660
5-fluorononane
CID 14113820
1-(2-butylsulfanylhexyl)piperidine
CID 10587268
2-fluoro-3-piperidin-1-ylpropan-1-amine
CID 84651060
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
(2R)-2-(azepan-1-ylmethyl)pentadecane-1-sulfonic acid
CID 121405493
1-piperidin-1-ylpentan-2-amine
CID 43650435
(3S)-1,3-difluoroheptane
CID 148515317
2-fluorohexan-1-amine
CID 55288883
1-(azonan-1-yl)butan-2-ol
CID 130671766
N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
CID 55191409
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorohexyl)pyrrolidine?
The IUPAC name of 1-(2-fluorohexyl)pyrrolidine (CID 177054095) is 1-(2-fluorohexyl)pyrrolidine.
What is the SMILES notation for 1-(2-fluorohexyl)pyrrolidine?
The canonical SMILES for 1-(2-fluorohexyl)pyrrolidine is CCCCC(F)CN1CCCC1.
What is the InChIKey of 1-(2-fluorohexyl)pyrrolidine?
The InChIKey is JBNCYAIOTJWBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-2-3-6-10(11)9-12-7-4-5-8-12/h10H,2-9H2,1H3.
What are the key properties of 1-(2-fluorohexyl)pyrrolidine?
1-(2-fluorohexyl)pyrrolidine has a molecular weight of 173.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorohexyl)pyrrolidine is sourced from PubChem (CID 177054095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).