3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol

C10H20FNO — CID 81113800

IUPAC3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCCF
InChIInChI=1S/C10H20FNO/c11-6-3-8-12-7-1-4-10(12)5-2-9-13/h10,13H,1-9H2
InChIKeySXECRVZNBCKRFJ-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.58
Rot. Bonds6

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

3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 81113800) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID81113800
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCCF
InChIInChI=1S/C10H20FNO/c11-6-3-8-12-7-1-4-10(12)5-2-9-13/h10,13H,1-9H2
InChIKeySXECRVZNBCKRFJ-UHFFFAOYSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol (CID 81113800) is 3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CCCF.
What is the InChIKey of 3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is SXECRVZNBCKRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c11-6-3-8-12-7-1-4-10(12)5-2-9-13/h10,13H,1-9H2.
What are the key properties of 3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 189.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluoropropyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 81113800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).