5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol

C9H18FNO — CID 168880963

IUPAC5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol
SMILESOCCCCCN1CC[C@H](F)C1
InChIInChI=1S/C9H18FNO/c10-9-4-6-11(8-9)5-2-1-3-7-12/h9,12H,1-8H2/t9-/m0/s1
InChIKeyNNBVFFNNWDLUCE-VIFPVBQESA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds5

About 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol

5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol (PubChem CID 168880963) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol
PubChem CID168880963
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol
SMILESOCCCCCN1CC[C@H](F)C1
InChIInChI=1S/C9H18FNO/c10-9-4-6-11(8-9)5-2-1-3-7-12/h9,12H,1-8H2/t9-/m0/s1
InChIKeyNNBVFFNNWDLUCE-VIFPVBQESA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Diethylamino-1-pentanol
CID 520284
5-(Dipropylamino)pentan-1-ol
CID 296030
(S)-4-(3-Fluoropyrrolidin-1-yl)butanol
CID 69672155
4-(3-Fluoropyrrolidin-1-yl)butan-1-ol
CID 69672156
4,4-Difluoro-5-(pyrrolidin-1-yl)pentan-1-ol
CID 69672278
(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
[1-(3-Fluoropropyl)pyrrolidin-2-yl]methanol
CID 81113428
(4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol
CID 126997673
[(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 127004508

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol?
The IUPAC name of 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol (CID 168880963) is 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol is OCCCCCN1CC[C@H](F)C1.
What is the InChIKey of 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol?
The InChIKey is NNBVFFNNWDLUCE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18FNO/c10-9-4-6-11(8-9)5-2-1-3-7-12/h9,12H,1-8H2/t9-/m0/s1.
What are the key properties of 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol?
5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol is sourced from PubChem (CID 168880963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).