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

C8H16FNO — CID 81113428

IUPAC[1-(3-fluoropropyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCF
InChIInChI=1S/C8H16FNO/c9-4-2-6-10-5-1-3-8(10)7-11/h8,11H,1-7H2
InChIKeyCGWHHPXBIMHRKW-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds4

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

[1-(3-fluoropropyl)pyrrolidin-2-yl]methanol (PubChem CID 81113428) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [1-(3-fluoropropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluoropropyl)pyrrolidin-2-yl]methanol
PubChem CID81113428
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[1-(3-fluoropropyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCF
InChIInChI=1S/C8H16FNO/c9-4-2-6-10-5-1-3-8(10)7-11/h8,11H,1-7H2
InChIKeyCGWHHPXBIMHRKW-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoropropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-fluoropropyl)pyrrolidin-2-yl]methanol (CID 81113428) is [1-(3-fluoropropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-fluoropropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-fluoropropyl)pyrrolidin-2-yl]methanol is OCC1CCCN1CCCF.
What is the InChIKey of [1-(3-fluoropropyl)pyrrolidin-2-yl]methanol?
The InChIKey is CGWHHPXBIMHRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-4-2-6-10-5-1-3-8(10)7-11/h8,11H,1-7H2.
What are the key properties of [1-(3-fluoropropyl)pyrrolidin-2-yl]methanol?
[1-(3-fluoropropyl)pyrrolidin-2-yl]methanol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 81113428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).