[1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol

C9H18FNO — CID 102788449

IUPAC[1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CCCF)C1CO
InChIInChI=1S/C9H18FNO/c1-8-3-6-11(5-2-4-10)9(8)7-12/h8-9,12H,2-7H2,1H3
InChIKeyJSHXEQREXKDDBQ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds4

About [1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol

[1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102788449) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102788449
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CCCF)C1CO
InChIInChI=1S/C9H18FNO/c1-8-3-6-11(5-2-4-10)9(8)7-12/h8-9,12H,2-7H2,1H3
InChIKeyJSHXEQREXKDDBQ-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

((2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl)methanol
CID 952314
(1-Propylpyrrolidin-2-yl)methanol
CID 23383549
(2-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 71757811
[1-(Cyclopropylmethyl)-2-pyrrolidinyl]methanol
CID 4207620
[(2S)-1-(2,2-Dimethylpropyl)pyrrolidin-2-yl]methanol
CID 13425763
((2S,4R)-4-Fluoro-1-methylpyrrolidin-2-yl)methanol
CID 60002592
[(2S,4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 60002610
[(2R,4R)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 72619547
(1-Tert-butyl-4-fluoropyrrolidin-2-yl)methanol
CID 77284419
(S)-(1-(2-Fluoroethyl)pyrrolidin-2-yl)methanol
CID 79326811
[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 80601924
[1-(2-Fluoroethyl)pyrrolidin-2-yl]methanol
CID 80602029

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol (CID 102788449) is [1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(CCCF)C1CO.
What is the InChIKey of [1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is JSHXEQREXKDDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8-3-6-11(5-2-4-10)9(8)7-12/h8-9,12H,2-7H2,1H3.
What are the key properties of [1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).