[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol

C9H16FNO — CID 162341985

IUPAC[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCC(F)C2)CC1
InChIInChI=1S/C9H16FNO/c10-8-1-4-11(5-8)6-9(7-12)2-3-9/h8,12H,1-7H2
InChIKeyQJQCVYXQIGSXLS-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.80
Rot. Bonds3

About [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol

[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol (PubChem CID 162341985) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol
PubChem CID162341985
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCC(F)C2)CC1
InChIInChI=1S/C9H16FNO/c10-8-1-4-11(5-8)6-9(7-12)2-3-9/h8,12H,1-7H2
InChIKeyQJQCVYXQIGSXLS-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-((Pyrrolidin-1-yl)methyl)cyclopropyl)methanol
CID 66854227
{1-[(Diethylamino)methyl]cyclopropyl}methanol
CID 94252158
(1-{[Ethyl(methyl)amino]methyl}cyclopropyl)methanol
CID 115243301
(1-((3,3-Difluoropyrrolidin-1-YL)methyl)cyclopropyl)methanol
CID 116991627
[3-Fluoro-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
CID 131089403
[1-[[(3R)-3-Fluoropyrrolidin-1-YL]methyl]cyclopropyl]methanol
CID 155348589
[1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methyl hypoiodite
CID 156062080
[1-[[(3S)-3-Fluoropyrrolidin-1-YL]methyl]cyclopropyl]methanol
CID 162341986
3-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164878349
[1-(Pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 164878789
[1-[(3-Fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
CID 164904219
[1-[(3-Fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite
CID 166533176

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol (CID 162341985) is [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol is OCC1(CN2CCC(F)C2)CC1.
What is the InChIKey of [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol?
The InChIKey is QJQCVYXQIGSXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-8-1-4-11(5-8)6-9(7-12)2-3-9/h8,12H,1-7H2.
What are the key properties of [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol?
[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol has a molecular weight of 173.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 162341985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).