[3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol

C11H21FN2O — CID 120905738

IUPAC[3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCC1(CN2CCC(F)(CO)C2)CCNC1
InChIInChI=1S/C11H21FN2O/c1-10(2-4-13-6-10)7-14-5-3-11(12,8-14)9-15/h13,15H,2-9H2,1H3
InChIKeyUROYYFHJKTYTRW-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.39
Rot. Bonds3

About [3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol

[3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 120905738) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is [3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID120905738
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name[3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCC1(CN2CCC(F)(CO)C2)CCNC1
InChIInChI=1S/C11H21FN2O/c1-10(2-4-13-6-10)7-14-5-3-11(12,8-14)9-15/h13,15H,2-9H2,1H3
InChIKeyUROYYFHJKTYTRW-UHFFFAOYSA-N
XLogP0.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol
CID 81419304
(1-(3-Aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl)methanol
CID 121203196
[(3R)-1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 129503556
[(3S)-1-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 129503557
[2-(5-fluoropentyl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl]methanol diacetate (salt)
CID 138382731
[2-(4,4,4-trifluorobutyl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl]methanol diacetate (salt)
CID 138387046
3-(Aminomethyl)-1-ethyl-3-pyrrolidinemethanol
CID 15107452
[3-(Aminomethyl)-1-propylpyrrolidin-3-yl]methanol
CID 15107456
[3-(Aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
CID 15107463
[3-(Methylaminomethyl)pyrrolidin-3-yl]methanol
CID 22903653
[(3R,4S)-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol;rhenium;rutherfordium;1,3,3-trimethylpyrrolidin-4-ide
CID 158084353
[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]methanol;[(3S)-3-fluoropyrrolidin-3-yl]methanol;hydrate;hydrochloride
CID 160591316

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol (CID 120905738) is [3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol is CC1(CN2CCC(F)(CO)C2)CCNC1.
What is the InChIKey of [3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is UROYYFHJKTYTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-10(2-4-13-6-10)7-14-5-3-11(12,8-14)9-15/h13,15H,2-9H2,1H3.
What are the key properties of [3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol?
[3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 216.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 120905738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).